smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc([C@H](CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)[NH+](C)C)cc1 ZINC000299749060 529723201 /nfs/dbraw/zinc/72/32/01/529723201.db2.gz IZWXRACUKWBERK-JYJNAYRXSA-N 2 0 305.422 0.691 50 0 DCAARP C[C@@H](CS(C)(=O)=O)[N@@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426549871 257247163 /nfs/dbraw/zinc/24/71/63/257247163.db2.gz DFAQEUYRJCVWTG-ZDUSSCGKSA-N 2 0 303.472 0.179 50 0 DCAARP C[NH+](C)[C@@H]1CN(C(=O)c2ccc(Cn3ccnc3)o2)C[C@H]1CO ZINC000257189583 396034989 /nfs/dbraw/zinc/03/49/89/396034989.db2.gz NYGAZMVBIROCND-GXTWGEPZSA-N 2 0 318.377 0.519 50 0 DCAARP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)Cn2cc(C)cn2)CC1 ZINC000072267517 396128371 /nfs/dbraw/zinc/12/83/71/396128371.db2.gz MVVYRLLOVGZNFX-AWEZNQCLSA-N 2 0 307.442 0.770 50 0 DCAARP C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069628500 396085252 /nfs/dbraw/zinc/08/52/52/396085252.db2.gz YHUONQLBNWTFQV-ZDUSSCGKSA-N 2 0 321.425 0.440 50 0 DCAARP COCCNc1ncnc2c1CC[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000072454058 415416197 /nfs/dbraw/zinc/41/61/97/415416197.db2.gz GBKXOWUNMWMZTQ-AWEZNQCLSA-N 2 0 319.453 0.935 50 0 DCAARP CC[NH+]1CCN(CCOc2ccc(CN3CC(O)C3)cc2)CC1 ZINC000216002868 545938393 /nfs/dbraw/zinc/93/83/93/545938393.db2.gz BAUKBBUKVYSNCI-UHFFFAOYSA-N 2 0 319.449 0.879 50 0 DCAARP Nc1nc2c(s1)CN(C(=O)[C@@H]1CC3(C[NH2+]1)CC[NH2+]CC3)CC2 ZINC000072144081 191050631 /nfs/dbraw/zinc/05/06/31/191050631.db2.gz LVUOFOGXRBZNKN-NSHDSACASA-N 2 0 321.450 0.342 50 0 DCAARP O=C(c1ccncc1)N1CCC([NH2+]C[C@]2(O)CCC[NH2+]C2)CC1 ZINC000072456950 191172855 /nfs/dbraw/zinc/17/28/55/191172855.db2.gz LVOFXCQUOCQYHW-KRWDZBQOSA-N 2 0 318.421 0.390 50 0 DCAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCN2CCOCC2)CC1 ZINC000089895939 395715792 /nfs/dbraw/zinc/71/57/92/395715792.db2.gz TXQOFPRDSNQYAF-INIZCTEOSA-N 2 0 313.486 0.733 50 0 DCAARP CC[N@@H+]1CCC[C@@H]1CNc1c(=O)c(=O)c1NCCC[NH+](C)C ZINC000101687156 395766557 /nfs/dbraw/zinc/76/65/57/395766557.db2.gz ANERIDNGZRGAPZ-GFCCVEGCSA-N 2 0 308.426 0.542 50 0 DCAARP C[N@H+](CCO)C1CCN(c2cc(C3CC([NH3+])C3)ncn2)CC1 ZINC000220488853 395849050 /nfs/dbraw/zinc/84/90/50/395849050.db2.gz VITXKXKKNQPWMC-UHFFFAOYSA-N 2 0 305.426 0.574 50 0 DCAARP CCc1oc(C(N)=O)cc1C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC000534653679 334312806 /nfs/dbraw/zinc/31/28/06/334312806.db2.gz ZZAQZLAYEFAINS-UHFFFAOYSA-N 2 0 307.394 0.895 50 0 DCAARP C[NH+](C)C[C@]1(O)CCC[N@H+](CC(=O)NCc2ccco2)CC1 ZINC000072135346 685074315 /nfs/dbraw/zinc/07/43/15/685074315.db2.gz RLOHRHQJPSAQDD-INIZCTEOSA-N 2 0 309.410 0.674 50 0 DCAARP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](CCn2ccnc2)CC1 ZINC001506424355 1017267189 /nfs/dbraw/zinc/26/71/89/1017267189.db2.gz KZHFIKJYBIDBKM-MRXNPFEDSA-N 2 0 319.453 0.806 50 0 DCAARP CCOC[C@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000079099821 185158447 /nfs/dbraw/zinc/15/84/47/185158447.db2.gz KVGQSYRUKWHVKX-MRXNPFEDSA-N 2 0 300.443 0.818 50 0 DCAARP O=C1OCC2(CC[NH+](Cc3cc4n(n3)CCC[NH2+]C4)CC2)O1 ZINC000072151969 191057227 /nfs/dbraw/zinc/05/72/27/191057227.db2.gz JWQTUBDJHAAINR-UHFFFAOYSA-N 2 0 306.366 0.878 50 0 DCAARP CN(Cc1cc2n(n1)CCC[NH2+]C2)CC1(CO)CCOCC1 ZINC000072167184 191066413 /nfs/dbraw/zinc/06/64/13/191066413.db2.gz LMSYUFRLUHHVNC-UHFFFAOYSA-N 2 0 308.426 0.597 50 0 DCAARP CCC[N@H+](CCO)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000053094427 395876184 /nfs/dbraw/zinc/87/61/84/395876184.db2.gz KUPGNWGSYQEXJG-HNNXBMFYSA-N 2 0 315.458 0.164 50 0 DCAARP Cc1nc(C[NH3+])cc(N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)n1 ZINC000067758735 396033401 /nfs/dbraw/zinc/03/34/01/396033401.db2.gz KKOXNRZUKOEKQB-HNNXBMFYSA-N 2 0 305.426 0.669 50 0 DCAARP NC(=O)CC[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000072253927 396128155 /nfs/dbraw/zinc/12/81/55/396128155.db2.gz IQHZOMYWADRUQB-MRXNPFEDSA-N 2 0 305.422 0.897 50 0 DCAARP CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178958160 396215793 /nfs/dbraw/zinc/21/57/93/396215793.db2.gz PUMCEHMZLJDXFV-CQSZACIVSA-N 2 0 303.472 0.780 50 0 DCAARP O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000584886433 396632221 /nfs/dbraw/zinc/63/22/21/396632221.db2.gz XHRJXURXCGQDPD-MRXNPFEDSA-N 2 0 309.454 0.778 50 0 DCAARP C[NH+]1CCC(N(Cc2ccncc2)C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000072411293 415414077 /nfs/dbraw/zinc/41/40/77/415414077.db2.gz NUBRMTQOMHQNRI-MRXNPFEDSA-N 2 0 318.421 0.493 50 0 DCAARP CCc1cc(NCCN2CC[NH2+]CC2)nc(N2CCCC2)[nH+]1 ZINC000534585519 416506810 /nfs/dbraw/zinc/50/68/10/416506810.db2.gz OPEFRTCOENONNL-UHFFFAOYSA-N 2 0 304.442 0.956 50 0 DCAARP Nc1cc[nH+]cc1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261743995 661606556 /nfs/dbraw/zinc/60/65/56/661606556.db2.gz DVIFHVSDMGRTJM-LLVKDONJSA-N 2 0 317.315 0.230 50 0 DCAARP C[NH2+]CC(=O)N1CCC[C@@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095511998 185376599 /nfs/dbraw/zinc/37/65/99/185376599.db2.gz GAJYUNFHGDNTMQ-CQSZACIVSA-N 2 0 307.442 0.760 50 0 DCAARP O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072156805 191058461 /nfs/dbraw/zinc/05/84/61/191058461.db2.gz AKOIPZLLOSWKBJ-CYBMUJFWSA-N 2 0 317.389 0.763 50 0 DCAARP O[C@@H](CNc1ncnc2c1CC[NH2+]CC2)C[NH+]1CCCCCC1 ZINC000072422821 191158508 /nfs/dbraw/zinc/15/85/08/191158508.db2.gz FPEVPXMZLLHNPC-AWEZNQCLSA-N 2 0 319.453 0.814 50 0 DCAARP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CCC[C@H]3[NH3+])CC2)c1 ZINC000237373432 202246662 /nfs/dbraw/zinc/24/66/62/202246662.db2.gz YRUGMRIPGVXNCC-UONOGXRCSA-N 2 0 304.394 0.866 50 0 DCAARP Cc1nn(CCO)c(C)c1C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069370627 184510078 /nfs/dbraw/zinc/51/00/78/184510078.db2.gz SWXVJSMDUVRTEP-ZDUSSCGKSA-N 2 0 324.469 0.675 50 0 DCAARP [NH3+][C@@H]1CCN(C(=O)C2CC[NH+](Cc3ccco3)CC2)C[C@H]1O ZINC000426419661 257251574 /nfs/dbraw/zinc/25/15/74/257251574.db2.gz BZOFMUVUSXJAEX-HUUCEWRRSA-N 2 0 307.394 0.412 50 0 DCAARP CC(=O)N1CCC[N@@H+]([C@@H]2CN(Cc3nccn3C)C[C@@H]2C)CC1 ZINC000229828882 395876209 /nfs/dbraw/zinc/87/62/09/395876209.db2.gz FGNAURCBEZQFSG-GOEBONIOSA-N 2 0 319.453 0.795 50 0 DCAARP CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1(C)CC[NH+](C)CC1 ZINC000067654438 396029973 /nfs/dbraw/zinc/02/99/73/396029973.db2.gz DMKHCOAXUULULF-KGLIPLIRSA-N 2 0 324.469 0.515 50 0 DCAARP CO[C@H]1[C@H](NC(=O)CC[NH3+])c2ccccc2C12CC[NH2+]CC2 ZINC000072447565 396131470 /nfs/dbraw/zinc/13/14/70/396131470.db2.gz NCGPAOJBROVWAK-CVEARBPZSA-N 2 0 303.406 0.843 50 0 DCAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000069347308 396076023 /nfs/dbraw/zinc/07/60/23/396076023.db2.gz VQAJFXFQSRZVCV-ZDUSSCGKSA-N 2 0 305.422 0.968 50 0 DCAARP Cc1cnn([C@H](C)[C@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000069536167 396081907 /nfs/dbraw/zinc/08/19/07/396081907.db2.gz PBQRCGOAWLKLSB-XHSDSOJGSA-N 2 0 309.458 0.339 50 0 DCAARP NC(=O)[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000075602798 396181607 /nfs/dbraw/zinc/18/16/07/396181607.db2.gz FCPRHHLDGNGXDN-HNNXBMFYSA-N 2 0 309.385 0.646 50 0 DCAARP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC(=O)N(CC3CC3)CC2)CC1 ZINC000584886966 396632145 /nfs/dbraw/zinc/63/21/45/396632145.db2.gz RIOJKZKNZDRHEE-HNNXBMFYSA-N 2 0 309.454 0.824 50 0 DCAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000236834181 279314170 /nfs/dbraw/zinc/31/41/70/279314170.db2.gz HORPGWZCOBFLDO-CQSZACIVSA-N 2 0 320.441 0.725 50 0 DCAARP CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C[NH+]1CCCCCCC1 ZINC000067459410 662116668 /nfs/dbraw/zinc/11/66/68/662116668.db2.gz WQSOIVZLPPLDIJ-KBPBESRZSA-N 2 0 310.442 0.317 50 0 DCAARP CS(=O)(=O)N1CC(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000952877765 768942437 /nfs/dbraw/zinc/94/24/37/768942437.db2.gz VDRPUUQQISPXHE-CVEARBPZSA-N 2 0 323.462 0.552 50 0 DCAARP OCC[C@@H]1CN(Cc2cc3n(n2)CC[NH2+]C3)CC[N@@H+]1CC1CC1 ZINC000072156559 191058495 /nfs/dbraw/zinc/05/84/95/191058495.db2.gz MQHVBHLERGTMBQ-MRXNPFEDSA-N 2 0 319.453 0.265 50 0 DCAARP c1c(CN2CCC([NH+]3CCSCC3)CC2)nn2c1C[NH2+]CC2 ZINC000072164084 191063827 /nfs/dbraw/zinc/06/38/27/191063827.db2.gz VVQQDGODRRWHGK-UHFFFAOYSA-N 2 0 321.494 1.000 50 0 DCAARP CC[NH+](CC)CCCNC(=O)C(=O)NCCC[NH+](CC)CC ZINC000004506240 181117035 /nfs/dbraw/zinc/11/70/35/181117035.db2.gz XCWYINIJRWCOCY-UHFFFAOYSA-N 2 0 314.474 0.683 50 0 DCAARP Cc1nn(C)c(N(C)C)c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000058392232 184112010 /nfs/dbraw/zinc/11/20/10/184112010.db2.gz XSAVUKSITABIAJ-UHFFFAOYSA-N 2 0 322.501 0.910 50 0 DCAARP Nc1nc(NCC[NH+]2CCC(O)CC2)cc(C2CC([NH3+])C2)n1 ZINC000220222850 395848020 /nfs/dbraw/zinc/84/80/20/395848020.db2.gz LTEMDIMKIPCHLN-UHFFFAOYSA-N 2 0 306.414 0.132 50 0 DCAARP C[N@@H+]1CC[C@@H]2C[NH+](CCCN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC000585136782 396641269 /nfs/dbraw/zinc/64/12/69/396641269.db2.gz SGGPLMGXLFEQRN-OLZOCXBDSA-N 2 0 308.426 0.590 50 0 DCAARP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000324023188 159013376 /nfs/dbraw/zinc/01/33/76/159013376.db2.gz OANPCIQPGQVNNM-CVEARBPZSA-N 2 0 303.406 0.444 50 0 DCAARP C[NH+](C)[C@H]1CN(C(=O)c2ccc(OCCC[NH3+])cc2)C[C@@H]1O ZINC000299771248 416066381 /nfs/dbraw/zinc/06/63/81/416066381.db2.gz XIVPDACFMACJEN-GJZGRUSLSA-N 2 0 307.394 0.161 50 0 DCAARP Cc1cncnc1C1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC000299801622 416071489 /nfs/dbraw/zinc/07/14/89/416071489.db2.gz ZJOUGOPIZLXWSM-AWEZNQCLSA-N 2 0 305.426 0.947 50 0 DCAARP CN(C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000179050186 416180608 /nfs/dbraw/zinc/18/06/08/416180608.db2.gz HFYNFSDCPBBDHY-QGZVFWFLSA-N 2 0 316.449 0.868 50 0 DCAARP CC[NH+](CC)CCCNC1=[NH+][C@@H]2CS(=O)(=O)C[C@H]2S1 ZINC000002958802 279099579 /nfs/dbraw/zinc/09/95/79/279099579.db2.gz OYHMKDWDQAWHLY-GHMZBOCLSA-N 2 0 305.469 0.576 50 0 DCAARP CC[NH+]1CCN(CC(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000071747511 191021457 /nfs/dbraw/zinc/02/14/57/191021457.db2.gz ZHJRCIFLLSPGDD-UHFFFAOYSA-N 2 0 308.470 0.616 50 0 DCAARP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3CCNC3=O)C2)[nH+]1 ZINC000065575172 184367701 /nfs/dbraw/zinc/36/77/01/184367701.db2.gz LIGZKCGXFUFJDU-ZDUSSCGKSA-N 2 0 317.393 0.676 50 0 DCAARP C[NH+](C)C[C@H](O)COc1cccc(OC[C@@H](O)C[NH+](C)C)c1 ZINC000000358425 395680266 /nfs/dbraw/zinc/68/02/66/395680266.db2.gz ZFHISOYCJCHVCX-KBPBESRZSA-N 2 0 312.410 0.289 50 0 DCAARP COCCC[NH+]1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000219172887 395844666 /nfs/dbraw/zinc/84/46/66/395844666.db2.gz KRPXNBJKEUDNKN-UHFFFAOYSA-N 2 0 320.441 0.422 50 0 DCAARP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[C@@H]([NH3+])C3)cnn2c1 ZINC000067649169 415381048 /nfs/dbraw/zinc/38/10/48/415381048.db2.gz DPJVENHJVVOXGU-CYBMUJFWSA-N 2 0 316.409 0.744 50 0 DCAARP C[NH+](C)CCn1ccnc1C1CCN(C(=O)C[NH+](C)C)CC1 ZINC000092028419 332117872 /nfs/dbraw/zinc/11/78/72/332117872.db2.gz RWPQCDLSPAYGQH-UHFFFAOYSA-N 2 0 307.442 0.712 50 0 DCAARP C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000125157112 525090501 /nfs/dbraw/zinc/09/05/01/525090501.db2.gz JCPMAAJHCRJURZ-OAHLLOKOSA-N 2 0 316.449 0.868 50 0 DCAARP C[NH+](C)[C@H]1CCN(CCCN2CC3(CC[NH+](C)CC3)OC2=O)C1 ZINC000072463885 191173800 /nfs/dbraw/zinc/17/38/00/191173800.db2.gz AMSNSYSCOSYYKG-HNNXBMFYSA-N 2 0 324.469 0.929 50 0 DCAARP C[N@@H+]1CCCN(Cc2ccc(CNC3=[NH+]CCN3)cc2)CC1 ZINC000066245784 184398390 /nfs/dbraw/zinc/39/83/90/184398390.db2.gz QWAJKXKITNLMRH-UHFFFAOYSA-N 2 0 301.438 0.873 50 0 DCAARP O=C(NCC[NH+]1CCC(c2ccccc2)CC1)[C@H]1C[NH2+]CCO1 ZINC000214969627 395836883 /nfs/dbraw/zinc/83/68/83/395836883.db2.gz LFELBACXVUQBCE-QGZVFWFLSA-N 2 0 317.433 0.971 50 0 DCAARP CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[NH+]1CCCCCCC1 ZINC000067713472 396032026 /nfs/dbraw/zinc/03/20/26/396032026.db2.gz WQSOIVZLPPLDIJ-KGLIPLIRSA-N 2 0 310.442 0.317 50 0 DCAARP Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)CC2 ZINC000069893003 396094033 /nfs/dbraw/zinc/09/40/33/396094033.db2.gz FWUIGUWZQOSWNL-HUUCEWRRSA-N 2 0 307.442 0.584 50 0 DCAARP Cc1cnn([C@H](C)[C@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000229572159 279034845 /nfs/dbraw/zinc/03/48/45/279034845.db2.gz PBQRCGOAWLKLSB-ARFHVFGLSA-N 2 0 309.458 0.339 50 0 DCAARP C[NH+](C)CCN1CCN(c2ncnc3[nH]ccc32)CCC1=O ZINC000670465087 547099555 /nfs/dbraw/zinc/09/95/55/547099555.db2.gz LAOKGGJYXWQCGG-UHFFFAOYSA-N 2 0 302.382 0.558 50 0 DCAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@H]21 ZINC000072429878 191162200 /nfs/dbraw/zinc/16/22/00/191162200.db2.gz HWDDBAGCBNDNBI-LSDHHAIUSA-N 2 0 305.426 0.452 50 0 DCAARP Cc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)cn1 ZINC000072457972 191173383 /nfs/dbraw/zinc/17/33/83/191173383.db2.gz HIDPOUBZDRWYPV-JKSUJKDBSA-N 2 0 317.437 0.947 50 0 DCAARP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000092045531 193147312 /nfs/dbraw/zinc/14/73/12/193147312.db2.gz LNYDFEBKOVNLPI-AWEZNQCLSA-N 2 0 304.394 0.318 50 0 DCAARP CN(Cc1ccc2nsnc2c1)C(=O)C12C[NH2+]CC1C[NH2+]C2 ZINC000065467123 184350181 /nfs/dbraw/zinc/35/01/81/184350181.db2.gz ZDGOFNYDVBRLQS-UHFFFAOYSA-N 2 0 317.418 0.459 50 0 DCAARP Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCC2)cc1OCC[NH3+] ZINC000426622874 257245339 /nfs/dbraw/zinc/24/53/39/257245339.db2.gz BMPMBKAHROQBAF-OAHLLOKOSA-N 2 0 321.421 0.519 50 0 DCAARP C[C@@H]1C[NH2+]CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000124319364 395900619 /nfs/dbraw/zinc/90/06/19/395900619.db2.gz ZQNLZPVWPCLFEY-OAHLLOKOSA-N 2 0 317.437 0.414 50 0 DCAARP CN(C)C(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CCN(Cc2ccco2)CC1 ZINC000257177021 396034011 /nfs/dbraw/zinc/03/40/11/396034011.db2.gz VNTPEWLQDWZKQM-ZBFHGGJFSA-N 2 0 321.421 0.767 50 0 DCAARP Cc1nn(CCO)c(C)c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000067187120 415375654 /nfs/dbraw/zinc/37/56/54/415375654.db2.gz QPELPCZGXKVTSS-UHFFFAOYSA-N 2 0 323.485 0.608 50 0 DCAARP CC(C)(O)C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338707 418403008 /nfs/dbraw/zinc/40/30/08/418403008.db2.gz UHSMHFIMOSATDN-CYBMUJFWSA-N 2 0 307.442 0.770 50 0 DCAARP C[NH+]1CCC(C(=O)N[C@@H]2CC[NH2+]C[C@H]2O)(c2ccccc2)CC1 ZINC000077378557 289872210 /nfs/dbraw/zinc/87/22/10/289872210.db2.gz BVVOPUXDJVNALW-HZPDHXFCSA-N 2 0 317.433 0.489 50 0 DCAARP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cncnc1N ZINC000192342474 670152675 /nfs/dbraw/zinc/15/26/75/670152675.db2.gz BFAUWLVMXNTRSD-ZDUSSCGKSA-N 2 0 320.441 0.547 50 0 DCAARP Nc1nc(NCCC[N@@H+]2CCCC[C@@H]2CO)cc2nncn21 ZINC000828710845 759072045 /nfs/dbraw/zinc/07/20/45/759072045.db2.gz OTMTVEGOCPEQIN-LLVKDONJSA-N 2 0 305.386 0.355 50 0 DCAARP Cn1ccnc1CC[NH+]1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC001529187724 1014517500 /nfs/dbraw/zinc/51/75/00/1014517500.db2.gz YNNSMNIMINNQCU-UHFFFAOYSA-N 2 0 321.469 0.037 50 0 DCAARP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2CO)CC1 ZINC000092027971 193142899 /nfs/dbraw/zinc/14/28/99/193142899.db2.gz CUDHPTZJYLYCHH-IAGOWNOFSA-N 2 0 304.438 0.369 50 0 DCAARP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CC[NH2+]C1 ZINC000238153152 284007933 /nfs/dbraw/zinc/00/79/33/284007933.db2.gz KDAFLAVZEBTUGY-HNNXBMFYSA-N 2 0 317.433 0.869 50 0 DCAARP COc1ccccc1CCCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)C2 ZINC000065393938 184334519 /nfs/dbraw/zinc/33/45/19/184334519.db2.gz KXUUCHPGMFFRKL-CRAIPNDOSA-N 2 0 317.433 0.895 50 0 DCAARP O=C1NCCN2CC[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]12 ZINC000067740673 296375771 /nfs/dbraw/zinc/37/57/71/296375771.db2.gz KBDKZFPQTQOJTL-HNNXBMFYSA-N 2 0 306.454 0.415 50 0 DCAARP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000000190575 395679928 /nfs/dbraw/zinc/67/99/28/395679928.db2.gz ZCFCGNGILAVAOX-UHFFFAOYSA-N 2 0 312.458 0.341 50 0 DCAARP CN1CCN(c2c(=O)c(=O)c2NCC2([NH+](C)C)CCCC2)CC1 ZINC000101684272 395766518 /nfs/dbraw/zinc/76/65/18/395766518.db2.gz LXRPHFLZVNNNPV-UHFFFAOYSA-N 2 0 320.437 0.321 50 0 DCAARP [NH3+]C1CC(c2cc(NCCC[NH+]3CCC(O)CC3)ncn2)C1 ZINC000220221196 395847724 /nfs/dbraw/zinc/84/77/24/395847724.db2.gz MITPXVNRPPQYEM-UHFFFAOYSA-N 2 0 305.426 0.940 50 0 DCAARP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000236756879 395897838 /nfs/dbraw/zinc/89/78/38/395897838.db2.gz MDUOITVUBJJOEV-XHSDSOJGSA-N 2 0 305.422 0.721 50 0 DCAARP CC(C)C[N@H+]1CCc2nnc([C@@H]3CC[NH+](CCO)C3)n2CC1 ZINC000257189512 396034715 /nfs/dbraw/zinc/03/47/15/396034715.db2.gz JBNZUYVZDAOJQQ-CQSZACIVSA-N 2 0 307.442 0.574 50 0 DCAARP O=C1CC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CC[C@H]2N1CCCO ZINC000072409946 396131638 /nfs/dbraw/zinc/13/16/38/396131638.db2.gz HPYYIONZXFPHFY-JKSUJKDBSA-N 2 0 309.454 0.681 50 0 DCAARP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](C2CCOCC2)CC1 ZINC000261919049 396079798 /nfs/dbraw/zinc/07/97/98/396079798.db2.gz IOOQZUHBGLHNNE-HNNXBMFYSA-N 2 0 307.438 0.699 50 0 DCAARP CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000584899161 396636235 /nfs/dbraw/zinc/63/62/35/396636235.db2.gz LWNFRZFMKPDINJ-MRXNPFEDSA-N 2 0 303.406 0.969 50 0 DCAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000299739087 396713415 /nfs/dbraw/zinc/71/34/15/396713415.db2.gz KJKAIDORSPUFEE-XHSDSOJGSA-N 2 0 308.470 0.613 50 0 DCAARP COCC[N@H+](C)CCNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000095996322 415569235 /nfs/dbraw/zinc/56/92/35/415569235.db2.gz DUEQEMMRQUYRTO-HUUCEWRRSA-N 2 0 312.458 0.690 50 0 DCAARP C[NH+]1CCC(O)(CNc2cc(C3CC(O)C3)[nH+]c(N)n2)CC1 ZINC000222304386 563724523 /nfs/dbraw/zinc/72/45/23/563724523.db2.gz QPBFHLHLEAMYJY-UHFFFAOYSA-N 2 0 307.398 0.166 50 0 DCAARP CN(C)C(=O)CN(C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023250897 658653522 /nfs/dbraw/zinc/65/35/22/658653522.db2.gz MLNSMNOEODZJES-SJORKVTESA-N 2 0 317.433 0.743 50 0 DCAARP Cc1ncsc1CCNC(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072146070 191052783 /nfs/dbraw/zinc/05/27/83/191052783.db2.gz UEXPONJJOCZLFD-GFCCVEGCSA-N 2 0 308.451 0.842 50 0 DCAARP O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072156803 191058541 /nfs/dbraw/zinc/05/85/41/191058541.db2.gz AKOIPZLLOSWKBJ-ZDUSSCGKSA-N 2 0 317.389 0.763 50 0 DCAARP O=C(c1ccncc1)N1CCC([NH2+]C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC000072456952 191172568 /nfs/dbraw/zinc/17/25/68/191172568.db2.gz LVOFXCQUOCQYHW-QGZVFWFLSA-N 2 0 318.421 0.390 50 0 DCAARP CCC[C@H](C(=O)NCCNC(=O)[C@@H](CCC)[NH+](C)C)[NH+](C)C ZINC000004530317 181120256 /nfs/dbraw/zinc/12/02/56/181120256.db2.gz VGQXBPYIYSSXJG-ZIAGYGMSSA-N 2 0 314.474 0.679 50 0 DCAARP C[NH+](C)CCNc1c(=O)c(=O)c1NCC1([NH+](C)C)CCCC1 ZINC000101697715 395766739 /nfs/dbraw/zinc/76/67/39/395766739.db2.gz OECAJACJGABJKN-UHFFFAOYSA-N 2 0 308.426 0.542 50 0 DCAARP CC(C)[C@H]([NH3+])C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000236726031 395897102 /nfs/dbraw/zinc/89/71/02/395897102.db2.gz SUFRHHRTGXEEEU-XHSDSOJGSA-N 2 0 310.486 0.987 50 0 DCAARP [NH3+]CCc1ccc(C[N@@H+]2CCN(C(=O)C3CC3)C[C@H](O)C2)cc1 ZINC000097076473 415580589 /nfs/dbraw/zinc/58/05/89/415580589.db2.gz RIAWCKLRPNEGQV-QGZVFWFLSA-N 2 0 317.433 0.603 50 0 DCAARP CN1CCC[N@H+](CCN2CCCC2=O)CC12CC[NH+](C)CC2 ZINC001529181957 1014515521 /nfs/dbraw/zinc/51/55/21/1014515521.db2.gz SCXQDFQRAOQCCZ-UHFFFAOYSA-N 2 0 308.470 0.711 50 0 DCAARP CCC[NH+]1CCC(N2CC[NH+](C[C@H](O)COCC)CC2)CC1 ZINC000079099957 185158325 /nfs/dbraw/zinc/15/83/25/185158325.db2.gz RTFDRZQMGCSSSA-KRWDZBQOSA-N 2 0 313.486 0.876 50 0 DCAARP Cc1c(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])nnn1C1CC[NH2+]CC1 ZINC000237845756 256600251 /nfs/dbraw/zinc/60/02/51/256600251.db2.gz OCIIAERKWSEJIM-JSGCOSHPSA-N 2 0 320.441 0.758 50 0 DCAARP Cn1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1=O ZINC000051960054 395857533 /nfs/dbraw/zinc/85/75/33/395857533.db2.gz CODHYCMQBARKMS-UHFFFAOYSA-N 2 0 305.422 0.930 50 0 DCAARP CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000067935373 396039689 /nfs/dbraw/zinc/03/96/89/396039689.db2.gz JOOOAQNYBUTINW-BARDWOONSA-N 2 0 324.469 0.702 50 0 DCAARP Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)CC2 ZINC000069893000 396093520 /nfs/dbraw/zinc/09/35/20/396093520.db2.gz FWUIGUWZQOSWNL-CABCVRRESA-N 2 0 307.442 0.584 50 0 DCAARP OCC[NH+]1CCC(C[NH2+]Cc2cnc(N3CCCC3)nc2)CC1 ZINC000069442706 396078833 /nfs/dbraw/zinc/07/88/33/396078833.db2.gz YEPVDWGXQDWIJJ-UHFFFAOYSA-N 2 0 319.453 0.871 50 0 DCAARP CC[NH+]1CCN(Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C2CC2)CC1 ZINC000244748537 416330672 /nfs/dbraw/zinc/33/06/72/416330672.db2.gz OJJOAMVKYKTNBP-BETUJISGSA-N 2 0 304.442 0.955 50 0 DCAARP Cc1cc2n(n1)CCCN(C(=O)[C@@H]1CC3(C[NH2+]1)CC[NH2+]CC3)C2 ZINC000072143137 274729844 /nfs/dbraw/zinc/72/98/44/274729844.db2.gz VMRIWGDCTTXIQE-HNNXBMFYSA-N 2 0 317.437 0.656 50 0 DCAARP CCCS(=O)(=O)NC[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426523766 661608223 /nfs/dbraw/zinc/60/82/23/661608223.db2.gz ZYZWYWYBMULSGQ-CYBMUJFWSA-N 2 0 303.472 0.780 50 0 DCAARP C[C@H](CN1CCOCC1)[NH2+]C1CC[NH+](C2CCOCC2)CC1 ZINC000821831575 758181142 /nfs/dbraw/zinc/18/11/42/758181142.db2.gz VIJDGNCYVJWRLU-OAHLLOKOSA-N 2 0 311.470 0.940 50 0 DCAARP CCS(=O)(=O)NC[C@@H](C)[NH2+]CCNc1cc[nH+]cc1C ZINC000823412744 758246106 /nfs/dbraw/zinc/24/61/06/758246106.db2.gz PHIJJYNMLCKZAZ-GFCCVEGCSA-N 2 0 300.428 0.141 50 0 DCAARP Cc1cc(N2CC[NH+](CCc3nccn3C)CC2)nc(N)[nH+]1 ZINC000825149727 758798009 /nfs/dbraw/zinc/79/80/09/758798009.db2.gz VHXKRCDZOIUBRL-UHFFFAOYSA-N 2 0 301.398 0.465 50 0 DCAARP [NH3+]C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1c1ccccc1 ZINC000864096505 775754167 /nfs/dbraw/zinc/75/41/67/775754167.db2.gz BPTGOZPZSPPZAB-IKGGRYGDSA-N 2 0 300.406 0.918 50 0 DCAARP C[NH+](C)C1(CNc2ncnc3c2CC[NH2+]CC3)CCOCC1 ZINC000072418788 191156311 /nfs/dbraw/zinc/15/63/11/191156311.db2.gz SFESLZZLDQVAJA-UHFFFAOYSA-N 2 0 305.426 0.688 50 0 DCAARP Cc1nc(C2CC[NH+](C[C@@]3(O)CCC[NH2+]C3)CC2)cc(=O)[nH]1 ZINC000072447488 191168593 /nfs/dbraw/zinc/16/85/93/191168593.db2.gz CXGLRVIYQAGEDB-MRXNPFEDSA-N 2 0 306.410 0.372 50 0 DCAARP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000101387991 285034502 /nfs/dbraw/zinc/03/45/02/285034502.db2.gz COWAKUPMGRTIFD-HOTGVXAUSA-N 2 0 322.453 0.753 50 0 DCAARP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000097272373 395756709 /nfs/dbraw/zinc/75/67/09/395756709.db2.gz YDFOMCIUZLDKKE-HNNXBMFYSA-N 2 0 313.409 0.346 50 0 DCAARP C[N@@H+]1CCCN(CC(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000071762222 396114730 /nfs/dbraw/zinc/11/47/30/396114730.db2.gz BFFGBKLBQMVRNE-UHFFFAOYSA-N 2 0 308.470 0.616 50 0 DCAARP COCC[N@H+](C)CCNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000095996323 415568919 /nfs/dbraw/zinc/56/89/19/415568919.db2.gz DUEQEMMRQUYRTO-CABCVRRESA-N 2 0 312.458 0.690 50 0 DCAARP Cc1c(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])nnn1C1CC[NH2+]CC1 ZINC000237456602 300919762 /nfs/dbraw/zinc/91/97/62/300919762.db2.gz HJRLTTLPMKKCAS-BXUZGUMPSA-N 2 0 320.441 0.710 50 0 DCAARP CC(=O)NCc1cc2n(n1)CC[N@H+](C[C@H]1CC[C@@H]([NH3+])CC1)C2 ZINC000244633482 526799394 /nfs/dbraw/zinc/79/93/94/526799394.db2.gz GDRVEIIHXCOYTJ-OKILXGFUSA-N 2 0 305.426 0.852 50 0 DCAARP Cc1c[nH+]ccc1N1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000072120696 685073449 /nfs/dbraw/zinc/07/34/49/685073449.db2.gz VCKVJCPVDYGDRA-OAHLLOKOSA-N 2 0 318.421 0.807 50 0 DCAARP C[NH+](C)CCn1ccnc1C1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000095496917 185374476 /nfs/dbraw/zinc/37/44/76/185374476.db2.gz KSNKKRKRBRAUNV-OAHLLOKOSA-N 2 0 319.453 0.760 50 0 DCAARP COCC[N@@H+]1CCN(C[C@H](O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000106785555 194252533 /nfs/dbraw/zinc/25/25/33/194252533.db2.gz HESXALZYLKHVQY-DLBZAZTESA-N 2 0 313.486 0.732 50 0 DCAARP O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCC[NH+]1CCCCC1 ZINC000426740686 257243462 /nfs/dbraw/zinc/24/34/62/257243462.db2.gz YSRFYZSEBXXWRU-OAHLLOKOSA-N 2 0 319.453 0.952 50 0 DCAARP O[C@H]1CN(Cc2cnn3cccnc23)CCN(c2cc[nH+]cc2)C1 ZINC000217412930 395838512 /nfs/dbraw/zinc/83/85/12/395838512.db2.gz XKSNHZDWZSHUQF-INIZCTEOSA-N 2 0 324.388 0.807 50 0 DCAARP O[C@]1(C[NH+]2CCC(c3nnc4ccccn43)CC2)CC[NH2+]C1 ZINC000077505199 396224947 /nfs/dbraw/zinc/22/49/47/396224947.db2.gz KVSPQEOUYVIQLH-MRXNPFEDSA-N 2 0 301.394 0.633 50 0 DCAARP O=C(C[NH+]1CCCCCCC1)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000584898968 396636620 /nfs/dbraw/zinc/63/66/20/396636620.db2.gz BTVAARSVHYYALQ-HOTGVXAUSA-N 2 0 309.454 0.920 50 0 DCAARP Cc1cc(N2CCC([N@H+]3[C@@H]4CC[C@H]3CNC4)CC2)nc(N)[nH+]1 ZINC000095388501 415559999 /nfs/dbraw/zinc/55/99/99/415559999.db2.gz VXFSLZUSAIWVNS-OKILXGFUSA-N 2 0 302.426 0.772 50 0 DCAARP O=C(CC1CC[NH2+]CC1)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000534649366 334316958 /nfs/dbraw/zinc/31/69/58/334316958.db2.gz UPQRHIQCFZUUAG-MRXNPFEDSA-N 2 0 309.454 0.681 50 0 DCAARP CC[NH+]1CCC(C[NH2+][C@H](C)CS(C)(=O)=O)(N(C)C)CC1 ZINC000823107382 758223812 /nfs/dbraw/zinc/22/38/12/758223812.db2.gz VOXHOPZQUPCFHN-CYBMUJFWSA-N 2 0 305.488 0.425 50 0 DCAARP CCS(=O)(=O)NC[C@@H](C)[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC000823412738 758246397 /nfs/dbraw/zinc/24/63/97/758246397.db2.gz ONIYQGFIWFSPSW-CYBMUJFWSA-N 2 0 303.472 0.732 50 0 DCAARP CCC[C@@H](C(=O)NCCNC(=O)[C@H](CCC)[NH+](C)C)[NH+](C)C ZINC000004530318 181120168 /nfs/dbraw/zinc/12/01/68/181120168.db2.gz VGQXBPYIYSSXJG-KBPBESRZSA-N 2 0 314.474 0.679 50 0 DCAARP CCn1c(CC2CC[NH2+]CC2)nn(C[C@H]2CC[N@H+](C)C2)c1=O ZINC000065369857 184329192 /nfs/dbraw/zinc/32/91/92/184329192.db2.gz NCAJOVAZZCBRED-AWEZNQCLSA-N 2 0 307.442 0.559 50 0 DCAARP Cc1nc[nH]c1CSCCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)C2 ZINC000065373368 184330861 /nfs/dbraw/zinc/33/08/61/184330861.db2.gz FYIFVWFFPUFCMP-IUODEOHRSA-N 2 0 323.466 0.219 50 0 DCAARP C[NH+](C)C[C@H](O)c1cc2n(n1)CCC[N@@H+](C1CCOCC1)C2 ZINC000219511413 395845391 /nfs/dbraw/zinc/84/53/91/395845391.db2.gz LAACYMQRTOICIG-INIZCTEOSA-N 2 0 308.426 0.863 50 0 DCAARP CN1CCN(C(=O)CC[NH+]2CCCC2)CC12CC[NH+](C)CC2 ZINC000067539875 396028415 /nfs/dbraw/zinc/02/84/15/396028415.db2.gz BVVACUWTAYHASG-UHFFFAOYSA-N 2 0 308.470 0.711 50 0 DCAARP C[C@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@H](C)[NH2+]1 ZINC000154114336 396031314 /nfs/dbraw/zinc/03/13/14/396031314.db2.gz FJNKUIINQUODGD-KBPBESRZSA-N 2 0 317.437 0.656 50 0 DCAARP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000237213288 416328280 /nfs/dbraw/zinc/32/82/80/416328280.db2.gz FFGSXIVDKOLQGZ-QGZVFWFLSA-N 2 0 316.449 0.997 50 0 DCAARP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000174534765 279327062 /nfs/dbraw/zinc/32/70/62/279327062.db2.gz KLJBUIIGPIAYDM-AWEZNQCLSA-N 2 0 320.441 0.759 50 0 DCAARP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])CCCNC(N)=O)CCCCC1 ZINC000826844158 758844810 /nfs/dbraw/zinc/84/48/10/758844810.db2.gz AIFGNFPPTXTDIW-LBPRGKRZSA-N 2 0 313.446 0.143 50 0 DCAARP C[NH+](C)[C@@H]1CCCN(C(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)C1 ZINC000244774170 282187007 /nfs/dbraw/zinc/18/70/07/282187007.db2.gz PPBHISPQKWPDCD-HZSPNIEDSA-N 2 0 320.441 0.887 50 0 DCAARP CCc1nc2c(c(NC[C@@H](O)C[NH+]3CCCC3)n1)CC[NH2+]CC2 ZINC000072419636 191157751 /nfs/dbraw/zinc/15/77/51/191157751.db2.gz ASAXNGKOCLYWJM-CYBMUJFWSA-N 2 0 319.453 0.596 50 0 DCAARP Cc1nc(C2CC[NH+](C[C@]3(O)CCC[NH2+]C3)CC2)cc(=O)[nH]1 ZINC000072447487 191168881 /nfs/dbraw/zinc/16/88/81/191168881.db2.gz CXGLRVIYQAGEDB-INIZCTEOSA-N 2 0 306.410 0.372 50 0 DCAARP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000236950235 202087971 /nfs/dbraw/zinc/08/79/71/202087971.db2.gz JFPPWKAXZXRXJK-UKRRQHHQSA-N 2 0 310.442 0.126 50 0 DCAARP O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCCC[NH+]1CCCC1 ZINC000426489515 257249138 /nfs/dbraw/zinc/24/91/38/257249138.db2.gz HZYTZMADDLPLHS-OAHLLOKOSA-N 2 0 319.453 0.952 50 0 DCAARP C[NH+]1CCC(n2nc(C3CCOCC3)nc2[C@@H]([NH3+])CO)CC1 ZINC000097463710 395758171 /nfs/dbraw/zinc/75/81/71/395758171.db2.gz OQTPZNVEXIVTOX-ZDUSSCGKSA-N 2 0 309.414 0.431 50 0 DCAARP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000236757001 395898022 /nfs/dbraw/zinc/89/80/22/395898022.db2.gz MDUOITVUBJJOEV-JYJNAYRXSA-N 2 0 305.422 0.721 50 0 DCAARP [NH3+][C@H]1C[C@@H](c2nnc(C[NH2+]CCc3cnccn3)n2C2CC2)C1 ZINC000252549848 396023456 /nfs/dbraw/zinc/02/34/56/396023456.db2.gz RVMYNPOYDDQOKD-TXEJJXNPSA-N 2 0 313.409 0.940 50 0 DCAARP Cc1nc(C[NH3+])cc(N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)n1 ZINC000067758738 396033527 /nfs/dbraw/zinc/03/35/27/396033527.db2.gz KKOXNRZUKOEKQB-OAHLLOKOSA-N 2 0 305.426 0.669 50 0 DCAARP CC(C)C[N@H+]1CCc2nnc([C@H]3CC[NH+](CCO)C3)n2CC1 ZINC000257189511 396034675 /nfs/dbraw/zinc/03/46/75/396034675.db2.gz JBNZUYVZDAOJQQ-AWEZNQCLSA-N 2 0 307.442 0.574 50 0 DCAARP Cc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)CC2 ZINC000069893005 396093741 /nfs/dbraw/zinc/09/37/41/396093741.db2.gz FWUIGUWZQOSWNL-LSDHHAIUSA-N 2 0 307.442 0.584 50 0 DCAARP C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000071877163 396121196 /nfs/dbraw/zinc/12/11/96/396121196.db2.gz ZPDHBEFMPABERU-AEFFLSMTSA-N 2 0 321.465 0.478 50 0 DCAARP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CCC(O)CC1 ZINC000076017791 396191796 /nfs/dbraw/zinc/19/17/96/396191796.db2.gz KSYXQFCOFKSODG-UHFFFAOYSA-N 2 0 300.447 0.425 50 0 DCAARP O=C(NC1CCOCC1)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065408745 415357776 /nfs/dbraw/zinc/35/77/76/415357776.db2.gz KBRLVQQASARVGI-CXAGYDPISA-N 2 0 307.438 0.746 50 0 DCAARP CC(C)[NH+]1CCC(CN2CCN(C(=O)c3nc[nH]n3)CC2)CC1 ZINC000215329119 416326953 /nfs/dbraw/zinc/32/69/53/416326953.db2.gz DZLVMKWWDHZQQV-UHFFFAOYSA-N 2 0 320.441 0.683 50 0 DCAARP Cc1nn(C)cc1CN1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000215075341 416327056 /nfs/dbraw/zinc/32/70/56/416327056.db2.gz UVMLTCXCEBNHDS-QGZVFWFLSA-N 2 0 303.454 0.940 50 0 DCAARP O=C(CC1CC[NH2+]CC1)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000534649364 334317047 /nfs/dbraw/zinc/31/70/47/334317047.db2.gz UPQRHIQCFZUUAG-INIZCTEOSA-N 2 0 309.454 0.681 50 0 DCAARP CC[NH+]1CCN(CC(=O)N(C)C[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000823112821 758225094 /nfs/dbraw/zinc/22/50/94/758225094.db2.gz HEKOHCXUPDFXKI-MRXNPFEDSA-N 2 0 310.486 0.813 50 0 DCAARP C[NH+](C)CCc1nnc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC001506407302 1017259151 /nfs/dbraw/zinc/25/91/51/1017259151.db2.gz QNKFDIWQDYMTDM-JTQLQIEISA-N 2 0 309.439 0.970 50 0 DCAARP C[NH+]1CCC(N(Cc2ccncc2)C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000072411292 282697150 /nfs/dbraw/zinc/69/71/50/282697150.db2.gz NUBRMTQOMHQNRI-INIZCTEOSA-N 2 0 318.421 0.493 50 0 DCAARP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000155696910 186104318 /nfs/dbraw/zinc/10/43/18/186104318.db2.gz JFPPWKAXZXRXJK-ZFWWWQNUSA-N 2 0 310.442 0.126 50 0 DCAARP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000237609139 257238848 /nfs/dbraw/zinc/23/88/48/257238848.db2.gz ZUYRHURAJWODSM-GJZGRUSLSA-N 2 0 310.486 0.988 50 0 DCAARP C[NH+](C)C[C@@H](O)COc1cccc(OC[C@H](O)C[NH+](C)C)c1 ZINC000000358423 395680338 /nfs/dbraw/zinc/68/03/38/395680338.db2.gz ZFHISOYCJCHVCX-ZIAGYGMSSA-N 2 0 312.410 0.289 50 0 DCAARP C[N@@H+]1CCN(C(=O)CCC[NH2+]Cc2ccccc2)C[C@H](O)C1 ZINC000097334161 395756814 /nfs/dbraw/zinc/75/68/14/395756814.db2.gz FZTHOKXTTLZSRS-MRXNPFEDSA-N 2 0 305.422 0.691 50 0 DCAARP CCOC(=O)c1[nH]c(=O)[nH]c1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000067515060 396027668 /nfs/dbraw/zinc/02/76/68/396027668.db2.gz HIVJXSSAPSIGSU-UHFFFAOYSA-N 2 0 322.409 0.797 50 0 DCAARP CC[NH+]1CCN(CC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000081338350 396298918 /nfs/dbraw/zinc/29/89/18/396298918.db2.gz RNUWMKCCTXZEPK-UHFFFAOYSA-N 2 0 308.470 0.711 50 0 DCAARP C[NH+]1CCC(OCCCNC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000584886087 396632613 /nfs/dbraw/zinc/63/26/13/396632613.db2.gz NSGBWDVADNTFSZ-HNNXBMFYSA-N 2 0 309.454 0.993 50 0 DCAARP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000236760961 416328419 /nfs/dbraw/zinc/32/84/19/416328419.db2.gz MDUOITVUBJJOEV-PMPSAXMXSA-N 2 0 305.422 0.721 50 0 DCAARP Cc1c(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])nnn1C1CC[NH2+]CC1 ZINC000237664250 416328662 /nfs/dbraw/zinc/32/86/62/416328662.db2.gz HJRLTTLPMKKCAS-FZMZJTMJSA-N 2 0 320.441 0.710 50 0 DCAARP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cncnc1N ZINC000192342468 670152038 /nfs/dbraw/zinc/15/20/38/670152038.db2.gz BFAUWLVMXNTRSD-CYBMUJFWSA-N 2 0 320.441 0.547 50 0 DCAARP Cc1c[nH+]ccc1N1CCCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000072120697 685073091 /nfs/dbraw/zinc/07/30/91/685073091.db2.gz VCKVJCPVDYGDRA-HNNXBMFYSA-N 2 0 318.421 0.807 50 0 DCAARP C[N@@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc(CC[NH3+])cc1)C2 ZINC001704306918 1179968158 /nfs/dbraw/zinc/96/81/58/1179968158.db2.gz ZOYKTJDOMNRRCW-HOCLYGCPSA-N 2 0 303.406 0.590 50 0 DCAARP C[N@@H+]1CC[C@](C)(C(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)C1 ZINC000823755016 758265124 /nfs/dbraw/zinc/26/51/24/758265124.db2.gz PVBBNQZJQFYBOY-INIZCTEOSA-N 2 0 309.454 0.778 50 0 DCAARP CCSC[C@H]([NH3+])C(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000072419779 191157091 /nfs/dbraw/zinc/15/70/91/191157091.db2.gz KPIXCLJFUHTQKH-AWEZNQCLSA-N 2 0 308.451 0.732 50 0 DCAARP Cc1cc(NCC[N@@H+]2CCC[C@@H](O)C2)nc(N2CCOCC2)[nH+]1 ZINC000065535258 395994230 /nfs/dbraw/zinc/99/42/30/395994230.db2.gz AXCSIVPDHGRJIK-CQSZACIVSA-N 2 0 321.425 0.490 50 0 DCAARP O=C1C[C@@H]([NH2+]Cc2ccccn2)CN1CCN1CCOCC1 ZINC000178906923 396213724 /nfs/dbraw/zinc/21/37/24/396213724.db2.gz YXVMLGPQZPOJIN-OAHLLOKOSA-N 2 0 304.394 0.104 50 0 DCAARP Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)o1 ZINC000299785154 416069084 /nfs/dbraw/zinc/06/90/84/416069084.db2.gz JHCAZXPHQRFGDT-ZBFHGGJFSA-N 2 0 321.421 0.639 50 0 DCAARP CC[N@@H+]1CCC[C@@H]1Cn1ncc(N2CCC[NH+](C)CC2)cc1=O ZINC000095508505 279315603 /nfs/dbraw/zinc/31/56/03/279315603.db2.gz QZEXVFYVLGJSKI-OAHLLOKOSA-N 2 0 319.453 0.870 50 0 DCAARP CN1CCN([C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@H]2O)CC1 ZINC000215723462 545937773 /nfs/dbraw/zinc/93/77/73/545937773.db2.gz FPWYANOKFCUQAJ-ZGCXVMDJSA-N 2 0 301.434 0.992 50 0 DCAARP [NH3+]C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1c1ccccc1 ZINC000864096506 775753977 /nfs/dbraw/zinc/75/39/77/775753977.db2.gz BPTGOZPZSPPZAB-ZACQAIPSSA-N 2 0 300.406 0.918 50 0 DCAARP C[NH+](C)CCn1ccnc1C1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000095496918 185374363 /nfs/dbraw/zinc/37/43/63/185374363.db2.gz KSNKKRKRBRAUNV-HNNXBMFYSA-N 2 0 319.453 0.760 50 0 DCAARP [NH3+]CC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072169414 191068236 /nfs/dbraw/zinc/06/82/36/191068236.db2.gz UGRWHSMZSKKCAY-INIZCTEOSA-N 2 0 302.422 0.758 50 0 DCAARP Cc1cc[nH+]c(NCCNC(=O)CN2CCC[N@@H+](C)CC2)c1 ZINC000065428906 184343658 /nfs/dbraw/zinc/34/36/58/184343658.db2.gz VAYAPOLANUFSSJ-UHFFFAOYSA-N 2 0 305.426 0.556 50 0 DCAARP C[NH+](C)CCCNc1c(=O)c(=O)c1NCC1([NH+](C)C)CCCC1 ZINC000101681017 395766597 /nfs/dbraw/zinc/76/65/97/395766597.db2.gz MEEPXDBIVBVBAS-UHFFFAOYSA-N 2 0 322.453 0.933 50 0 DCAARP Cc1cc(N2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)cc(C)[nH+]1 ZINC000077539578 396225868 /nfs/dbraw/zinc/22/58/68/396225868.db2.gz WFGQOVUDQVNEIE-MRXNPFEDSA-N 2 0 318.421 0.726 50 0 DCAARP COC(=O)c1c(OCCC[NH+](C)C)cc(=O)n2c1CC[NH2+]CC2 ZINC000299795280 416069479 /nfs/dbraw/zinc/06/94/79/416069479.db2.gz LUKUFUBOEXSYKK-UHFFFAOYSA-N 2 0 323.393 0.111 50 0 DCAARP Cc1c[nH+]ccc1N1CCCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000077321961 292980360 /nfs/dbraw/zinc/98/03/60/292980360.db2.gz HCHNIEAEUBOLHQ-KGLIPLIRSA-N 2 0 304.394 0.152 50 0 DCAARP [NH3+]C[C@H](O)CC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000888096989 661176043 /nfs/dbraw/zinc/17/60/43/661176043.db2.gz YJKLWVMOGUBCIZ-CQSZACIVSA-N 2 0 313.442 0.095 50 0 DCAARP C[N@@H+]1CCCN(c2ncnc3n[nH]cc32)CC12CC[NH2+]CC2 ZINC000823778370 758265918 /nfs/dbraw/zinc/26/59/18/758265918.db2.gz NXVFYYRDTHTKSP-UHFFFAOYSA-N 2 0 301.398 0.617 50 0 DCAARP O[C@@]1(CN2CC[NH+](CCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000952877959 768942200 /nfs/dbraw/zinc/94/22/00/768942200.db2.gz XCCBHODFDDITSK-SFHVURJKSA-N 2 0 303.450 0.961 50 0 DCAARP CS(=O)(=O)N1CC(C[N@H+](CCC[NH3+])Cc2ccccc2)C1 ZINC000952877562 768942340 /nfs/dbraw/zinc/94/23/40/768942340.db2.gz ROBDGZOMBKYCKZ-UHFFFAOYSA-N 2 0 311.451 0.729 50 0 DCAARP COC[C@@H](O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171972824 198018801 /nfs/dbraw/zinc/01/88/01/198018801.db2.gz VIPHPQNBLSRNEN-DZKIICNBSA-N 2 0 300.443 0.815 50 0 DCAARP C[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)N1CCOC[C@@H]1C ZINC000195570422 395831705 /nfs/dbraw/zinc/83/17/05/395831705.db2.gz HNWKSRUFXALGBP-ILXRZTDVSA-N 2 0 312.458 0.689 50 0 DCAARP CC(=O)N1CCC(C[NH2+]CC2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000069779905 396090494 /nfs/dbraw/zinc/09/04/94/396090494.db2.gz BPYQDHZFZMMUEK-AWEZNQCLSA-N 2 0 311.470 0.927 50 0 DCAARP C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[NH2+]1 ZINC000155221034 415994391 /nfs/dbraw/zinc/99/43/91/415994391.db2.gz HBJMQHGKRSEAIL-CYBMUJFWSA-N 2 0 303.410 0.267 50 0 DCAARP COCCn1c(CN2CCC[N@H+](C)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244748673 416330691 /nfs/dbraw/zinc/33/06/91/416330691.db2.gz OMEYUDHKJCAGGL-HDJSIYSDSA-N 2 0 322.457 0.267 50 0 DCAARP O=C(C1CCC1)N1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@]3(CO)C2)CC1 ZINC001772711339 1157849252 /nfs/dbraw/zinc/84/92/52/1157849252.db2.gz HNOOSOPZFXCPLY-WMLDXEAASA-N 2 0 307.438 0.291 50 0 DCAARP CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C[NH+]2CCN(C)CC2)CC1 ZINC000823112191 758223376 /nfs/dbraw/zinc/22/33/76/758223376.db2.gz PEMUXUQAVXCOKC-HNNXBMFYSA-N 2 0 308.470 0.615 50 0 DCAARP COCC[N@@H+]1CC[C@@H](CNc2nc(C)nc3c2CC[NH2+]CC3)C1 ZINC000072429065 191162761 /nfs/dbraw/zinc/16/27/61/191162761.db2.gz PZSLETRKAMXKRH-AWEZNQCLSA-N 2 0 319.453 0.853 50 0 DCAARP [NH3+]C[C@H]1CN(c2nc(C3CC3)nc3c2CC[NH2+]CC3)CCO1 ZINC000072458744 191172836 /nfs/dbraw/zinc/17/28/36/191172836.db2.gz WPWIPVLVXSCVON-LBPRGKRZSA-N 2 0 303.410 0.206 50 0 DCAARP O=C(C[NH+]1CCCCCC1)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000584902766 396637280 /nfs/dbraw/zinc/63/72/80/396637280.db2.gz XXYSVEIJUBXHLX-HOTGVXAUSA-N 2 0 309.454 0.920 50 0 DCAARP O=C(NC1CC[NH+](CCc2ccncc2)CC1)[C@H]1CCC[NH2+]1 ZINC000113809574 415718288 /nfs/dbraw/zinc/71/82/88/415718288.db2.gz SDJPGTWBSBYKHP-MRXNPFEDSA-N 2 0 302.422 0.957 50 0 DCAARP Cc1c[nH+]ccc1N1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000091893602 302386702 /nfs/dbraw/zinc/38/67/02/302386702.db2.gz PBUZMQULNFQGJP-HNNXBMFYSA-N 2 0 318.421 0.807 50 0 DCAARP O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCC[NH+]1CCCC1 ZINC000426389235 661563661 /nfs/dbraw/zinc/56/36/61/661563661.db2.gz IFOVJKLQEKSWKZ-AWEZNQCLSA-N 2 0 305.426 0.562 50 0 DCAARP C[N@H+](CCO)Cc1cccc(OC[C@@H](O)CN2CCOCC2)c1 ZINC000011873582 666252565 /nfs/dbraw/zinc/25/25/65/666252565.db2.gz ZPNAFRYPCILPKU-INIZCTEOSA-N 2 0 324.421 0.183 50 0 DCAARP CN1CC[NH+](C2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCCC2)CC1 ZINC000823789383 758275423 /nfs/dbraw/zinc/27/54/23/758275423.db2.gz JORYHGQTRUBQRZ-OAHLLOKOSA-N 2 0 308.470 0.615 50 0 DCAARP CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C1CC[NH+](Cc2ccccn2)CC1 ZINC000082107387 192356410 /nfs/dbraw/zinc/35/64/10/192356410.db2.gz GKEUUKYMKRBMJR-CJNGLKHVSA-N 2 0 317.437 0.194 50 0 DCAARP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)[C@H](C)C1 ZINC000090798858 395719392 /nfs/dbraw/zinc/71/93/92/395719392.db2.gz NKJAGQFJJYLIBZ-MCIONIFRSA-N 2 0 303.472 0.730 50 0 DCAARP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)[C@H](C)C1 ZINC000090798859 395719707 /nfs/dbraw/zinc/71/97/07/395719707.db2.gz NKJAGQFJJYLIBZ-MGPQQGTHSA-N 2 0 303.472 0.730 50 0 DCAARP O[C@@]1(C[NH+]2CCC(c3nnc4ccccn43)CC2)CC[NH2+]C1 ZINC000077505198 396225104 /nfs/dbraw/zinc/22/51/04/396225104.db2.gz KVSPQEOUYVIQLH-INIZCTEOSA-N 2 0 301.394 0.633 50 0 DCAARP COCCC[N@@H+]1CCC2(CC[NH+](CCO)CC2)[C@@H](CO)C1 ZINC000097819628 292350459 /nfs/dbraw/zinc/35/04/59/292350459.db2.gz CVPUJHQHUSTKFI-OAHLLOKOSA-N 2 0 300.443 0.412 50 0 DCAARP CCN(CCn1cccn1)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072476054 191177331 /nfs/dbraw/zinc/17/73/31/191177331.db2.gz RFHFUKFLDQVCLO-HNNXBMFYSA-N 2 0 319.453 0.806 50 0 DCAARP C[C@H](CS(C)(=O)=O)[N@@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426549870 257246878 /nfs/dbraw/zinc/24/68/78/257246878.db2.gz DFAQEUYRJCVWTG-CYBMUJFWSA-N 2 0 303.472 0.179 50 0 DCAARP [NH3+]C1CC(c2cc(N3CC[NH+](CCCCO)CC3)ncn2)C1 ZINC000244900176 395926972 /nfs/dbraw/zinc/92/69/72/395926972.db2.gz ZXNNGWNQEXXQHP-UHFFFAOYSA-N 2 0 305.426 0.576 50 0 DCAARP CC(C)[NH+]1CCN(CCC[N@H+]2CCOC[C@H]2C[C@H](C)O)CC1 ZINC000225723132 395863022 /nfs/dbraw/zinc/86/30/22/395863022.db2.gz BAQBBVXWYDVSRE-DLBZAZTESA-N 2 0 313.486 0.874 50 0 DCAARP C[N@H+]1C[C@@H](c2cccnc2)[C@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC000169793220 396094034 /nfs/dbraw/zinc/09/40/34/396094034.db2.gz AAWYXXFCBMRBHH-JKSUJKDBSA-N 2 0 302.422 0.937 50 0 DCAARP C[C@@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000071877161 396121636 /nfs/dbraw/zinc/12/16/36/396121636.db2.gz ZPDHBEFMPABERU-SJLPKXTDSA-N 2 0 321.465 0.478 50 0 DCAARP CC[NH+]1CCN(CC(=O)NCC2(C[NH+]3CCCC3)CC2)CC1 ZINC000952972974 665835221 /nfs/dbraw/zinc/83/52/21/665835221.db2.gz XARBYBQGMKZWSA-UHFFFAOYSA-N 2 0 308.470 0.616 50 0 DCAARP c1c(CN2CC[NH+](C3CCSCC3)CC2)nn2c1C[NH2+]CC2 ZINC000072145654 191050478 /nfs/dbraw/zinc/05/04/78/191050478.db2.gz DDPOZOFENBUJEN-UHFFFAOYSA-N 2 0 321.494 1.000 50 0 DCAARP c1c(CN2CCCO[C@H](C[NH+]3CCCC3)C2)nn2c1C[NH2+]CC2 ZINC000072169378 191068051 /nfs/dbraw/zinc/06/80/51/191068051.db2.gz RDEQVKFNKPLVKL-QGZVFWFLSA-N 2 0 319.453 0.673 50 0 DCAARP C[NH+](C)[C@@H]1C[C@@H](CO)N(C(=O)CSCC[NH+]2CCCC2)C1 ZINC000065397636 184335753 /nfs/dbraw/zinc/33/57/53/184335753.db2.gz PWJHKFHUCRLIPL-KGLIPLIRSA-N 2 0 315.483 0.339 50 0 DCAARP O=C(NCc1cccc(N2CCCC2)c1)C12C[NH2+]CC1C[NH2+]C2 ZINC000065398134 184335756 /nfs/dbraw/zinc/33/57/56/184335756.db2.gz VYTDEGCEGXUVPV-UHFFFAOYSA-N 2 0 314.433 0.712 50 0 DCAARP O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCC[NH+]1CCCC1 ZINC000426489431 257249621 /nfs/dbraw/zinc/24/96/21/257249621.db2.gz WQRDHQBSZVIGIO-AWEZNQCLSA-N 2 0 305.426 0.562 50 0 DCAARP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)[nH+]1 ZINC000097200852 395756140 /nfs/dbraw/zinc/75/61/40/395756140.db2.gz XEJKHJKLSVJHCT-OAHLLOKOSA-N 2 0 318.421 0.983 50 0 DCAARP C[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000219233282 395844781 /nfs/dbraw/zinc/84/47/81/395844781.db2.gz DRABCJWFJGEWFU-AWEZNQCLSA-N 2 0 302.422 0.859 50 0 DCAARP COCC[N@H+](C)CCNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000230229391 395879430 /nfs/dbraw/zinc/87/94/30/395879430.db2.gz DUEQEMMRQUYRTO-LSDHHAIUSA-N 2 0 312.458 0.690 50 0 DCAARP COCCn1c(CN2CC[C@H]([NH+](C)C)C2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252550874 396023521 /nfs/dbraw/zinc/02/35/21/396023521.db2.gz SZLQGXNLYNAAPZ-MJBXVCDLSA-N 2 0 322.457 0.265 50 0 DCAARP O[C@H](C[NH2+]CCCC[NH2+]C[C@@H](O)C(F)(F)F)C(F)(F)F ZINC000004050489 296580119 /nfs/dbraw/zinc/58/01/19/296580119.db2.gz ODDKDYALYCGAFA-HTQZYQBOSA-N 2 0 312.254 0.792 50 0 DCAARP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)[C@@H](C)C1 ZINC000195549042 416326742 /nfs/dbraw/zinc/32/67/42/416326742.db2.gz NKJAGQFJJYLIBZ-BFHYXJOUSA-N 2 0 303.472 0.730 50 0 DCAARP CCn1ncnc1CN1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000215252152 416327167 /nfs/dbraw/zinc/32/71/67/416327167.db2.gz GVPMTGPUMDFEPH-HNNXBMFYSA-N 2 0 306.458 0.757 50 0 DCAARP Cn1c(CC2CC[NH2+]CC2)nnc1CN1CC[C@H]([NH+](C)C)C1 ZINC000055060889 289385540 /nfs/dbraw/zinc/38/55/40/289385540.db2.gz RJBHGWZFNJSZTG-AWEZNQCLSA-N 2 0 306.458 0.493 50 0 DCAARP O=C(NCc1cn2ccsc2n1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072168059 191066059 /nfs/dbraw/zinc/06/60/59/191066059.db2.gz LGPUTXDOKFNGRC-LBPRGKRZSA-N 2 0 319.434 0.744 50 0 DCAARP O=C(NCc1cn2ccsc2n1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072168060 191067316 /nfs/dbraw/zinc/06/73/16/191067316.db2.gz LGPUTXDOKFNGRC-GFCCVEGCSA-N 2 0 319.434 0.744 50 0 DCAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000237518066 202268087 /nfs/dbraw/zinc/26/80/87/202268087.db2.gz QMQATYSCEHSYTK-KBMXLJTQSA-N 2 0 318.421 0.397 50 0 DCAARP Cc1c(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])nnn1C1CC[NH2+]CC1 ZINC000237664183 291497503 /nfs/dbraw/zinc/49/75/03/291497503.db2.gz HJRLTTLPMKKCAS-SMDDNHRTSA-N 2 0 320.441 0.710 50 0 DCAARP Cn1ncc2c1nc(NCC[NH+](C)C)nc2N1CC[NH+](C)CC1 ZINC000021929815 395691742 /nfs/dbraw/zinc/69/17/42/395691742.db2.gz WYILYPNHHDVACD-UHFFFAOYSA-N 2 0 318.429 0.089 50 0 DCAARP COc1ccc(C(=O)N2CC[NH+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc1 ZINC000102695397 395771489 /nfs/dbraw/zinc/77/14/89/395771489.db2.gz UEDPSVGOTFTARZ-FVQHAEBGSA-N 2 0 315.417 0.918 50 0 DCAARP O=C(NC1CC[NH+](CCc2ccncc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000113809572 395831498 /nfs/dbraw/zinc/83/14/98/395831498.db2.gz SDJPGTWBSBYKHP-INIZCTEOSA-N 2 0 302.422 0.957 50 0 DCAARP C[NH+](C)CC1(CO)CCN(c2cc(C3CC([NH3+])C3)ncn2)CC1 ZINC000223304011 395855299 /nfs/dbraw/zinc/85/52/99/395855299.db2.gz RMXUEWITCISJAL-UHFFFAOYSA-N 2 0 319.453 0.822 50 0 DCAARP C[C@H]1C[NH2+]CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000126254750 395910842 /nfs/dbraw/zinc/91/08/42/395910842.db2.gz JCPMAAJHCRJURZ-HNNXBMFYSA-N 2 0 316.449 0.868 50 0 DCAARP C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000229554166 395875414 /nfs/dbraw/zinc/87/54/14/395875414.db2.gz HODYAMGWQIFNOB-ULQDDVLXSA-N 2 0 313.486 0.466 50 0 DCAARP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[NH+](C2CCOCC2)CC1 ZINC000261919053 396079466 /nfs/dbraw/zinc/07/94/66/396079466.db2.gz IOOQZUHBGLHNNE-OAHLLOKOSA-N 2 0 307.438 0.699 50 0 DCAARP CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178958145 396215773 /nfs/dbraw/zinc/21/57/73/396215773.db2.gz PUMCEHMZLJDXFV-AWEZNQCLSA-N 2 0 303.472 0.780 50 0 DCAARP Cc1cc(N2CCN(C(=O)C[C@H]3C[NH2+]CCO3)CC2)cc(C)[nH+]1 ZINC000077539582 396225698 /nfs/dbraw/zinc/22/56/98/396225698.db2.gz WFGQOVUDQVNEIE-INIZCTEOSA-N 2 0 318.421 0.726 50 0 DCAARP Cn1c(C[NH2+]CC2(Cn3cccn3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244734460 416330712 /nfs/dbraw/zinc/33/07/12/416330712.db2.gz NFUDPMJMJUJXQR-BETUJISGSA-N 2 0 315.425 0.786 50 0 DCAARP CCCS(=O)(=O)NC[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426523767 661608329 /nfs/dbraw/zinc/60/83/29/661608329.db2.gz ZYZWYWYBMULSGQ-ZDUSSCGKSA-N 2 0 303.472 0.780 50 0 DCAARP CCS(=O)(=O)NC[C@H](C)[NH2+]CCNc1cc[nH+]cc1C ZINC000823412745 758246168 /nfs/dbraw/zinc/24/61/68/758246168.db2.gz PHIJJYNMLCKZAZ-LBPRGKRZSA-N 2 0 300.428 0.141 50 0 DCAARP O=S1(=O)CC[C@H](CC[NH+]2CCC3(CC2)C[NH2+]CCO3)C1 ZINC000828394705 759002289 /nfs/dbraw/zinc/00/22/89/759002289.db2.gz ZYGKMOCBPJDHIR-ZDUSSCGKSA-N 2 0 302.440 0.266 50 0 DCAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000069347310 396076063 /nfs/dbraw/zinc/07/60/63/396076063.db2.gz VQAJFXFQSRZVCV-CYBMUJFWSA-N 2 0 305.422 0.968 50 0 DCAARP CN1c2ccccc2C2(CC[NH+](C[C@@]3(O)CC[NH2+]C3)CC2)C1=O ZINC000077486615 415462211 /nfs/dbraw/zinc/46/22/11/415462211.db2.gz AWTSNOSIYRFZRI-QGZVFWFLSA-N 2 0 315.417 0.721 50 0 DCAARP CC(C)[NH+]1CCN(CCC(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000864057971 667207334 /nfs/dbraw/zinc/20/73/34/667207334.db2.gz PTGMGWQJFOZTDB-JKSUJKDBSA-N 2 0 310.486 0.954 50 0 DCAARP CC[C@@H](C(=O)NCC1(C[NH+]2CCN(C)CC2)CC1)[N@H+](C)CC ZINC000952965618 685598316 /nfs/dbraw/zinc/59/83/16/685598316.db2.gz SJCBJVBQPFGIKL-HNNXBMFYSA-N 2 0 310.486 0.861 50 0 DCAARP O=C(C1CCC1)N1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(CO)C2)CC1 ZINC001772711335 1157848683 /nfs/dbraw/zinc/84/86/83/1157848683.db2.gz HNOOSOPZFXCPLY-PBHICJAKSA-N 2 0 307.438 0.291 50 0 DCAARP CC(C)CC(=O)N1CCC[NH2+]CCCCNC(=O)[C@@H]2C[C@H]1C[NH2+]2 ZINC001704317473 1179971413 /nfs/dbraw/zinc/97/14/13/1179971413.db2.gz JSADHABQXSXBCW-GJZGRUSLSA-N 2 0 324.469 0.481 50 0 DCAARP CCc1ccc([C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)[NH+](C)C)cc1 ZINC000277481921 529723254 /nfs/dbraw/zinc/72/32/54/529723254.db2.gz IZWXRACUKWBERK-XHSDSOJGSA-N 2 0 305.422 0.691 50 0 DCAARP CN(CCc1ccccn1)C(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072156825 191058900 /nfs/dbraw/zinc/05/89/00/191058900.db2.gz AJRNWXMMFVUEAZ-OAHLLOKOSA-N 2 0 302.422 0.814 50 0 DCAARP CC[NH+]1CCN(CCCN2CC3(CC[NH+](C)CC3)OC2=O)CC1 ZINC000072479054 191179648 /nfs/dbraw/zinc/17/96/48/191179648.db2.gz PTMIYUIVXFDWPP-UHFFFAOYSA-N 2 0 324.469 0.931 50 0 DCAARP C[NH+](C)C[C@@]1(O)C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000019773779 182146262 /nfs/dbraw/zinc/14/62/62/182146262.db2.gz KPNOGINVJNKHKQ-DAWZGUTISA-N 2 0 301.434 0.478 50 0 DCAARP COc1c(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(C)nn1C ZINC000065517631 184358639 /nfs/dbraw/zinc/35/86/39/184358639.db2.gz CEJAUXOXAMPMDY-UHFFFAOYSA-N 2 0 309.458 0.853 50 0 DCAARP C[C@H](C(=O)Nc1ncccn1)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069628502 184828533 /nfs/dbraw/zinc/82/85/33/184828533.db2.gz YHUONQLBNWTFQV-CYBMUJFWSA-N 2 0 321.425 0.440 50 0 DCAARP C[N@@H+](Cc1ccc(C(N)=O)cc1)CC1CC[NH+](CCO)CC1 ZINC000089351059 395710647 /nfs/dbraw/zinc/71/06/47/395710647.db2.gz VKWIMKJSXBXJEV-UHFFFAOYSA-N 2 0 305.422 0.922 50 0 DCAARP C[C@H]1C[NH2+]CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000125408255 395903267 /nfs/dbraw/zinc/90/32/67/395903267.db2.gz ZQNLZPVWPCLFEY-HNNXBMFYSA-N 2 0 317.437 0.414 50 0 DCAARP CCOCC[NH+]1CCN(C[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000069627117 396085484 /nfs/dbraw/zinc/08/54/84/396085484.db2.gz YAMQCKNJLXUETN-QGZVFWFLSA-N 2 0 313.486 0.733 50 0 DCAARP CC(C)[NH+]1CCN(CCC[N@H+]2CCOC[C@H]2C[C@@H](C)O)CC1 ZINC000192799751 396438098 /nfs/dbraw/zinc/43/80/98/396438098.db2.gz BAQBBVXWYDVSRE-IAGOWNOFSA-N 2 0 313.486 0.874 50 0 DCAARP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[C@H]([NH3+])C3)cnn2c1 ZINC000067649168 415379122 /nfs/dbraw/zinc/37/91/22/415379122.db2.gz DPJVENHJVVOXGU-ZDUSSCGKSA-N 2 0 316.409 0.744 50 0 DCAARP Cc1c[nH+]ccc1NCCNC(=O)CN(C)C1CC[NH2+]CC1 ZINC000534585560 334291936 /nfs/dbraw/zinc/29/19/36/334291936.db2.gz WWFXAXGWIXJIDS-UHFFFAOYSA-N 2 0 305.426 0.024 50 0 DCAARP Cc1nc2c(c(N3CCC([N@H+](C)CCO)CC3)n1)CC[NH2+]CC2 ZINC000072429096 191162189 /nfs/dbraw/zinc/16/21/89/191162189.db2.gz FTAZPKGKOWKAEG-UHFFFAOYSA-N 2 0 319.453 0.366 50 0 DCAARP C[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000219233359 395844627 /nfs/dbraw/zinc/84/46/27/395844627.db2.gz DRABCJWFJGEWFU-CQSZACIVSA-N 2 0 302.422 0.859 50 0 DCAARP COCC[N@@H+]1CCN(C[C@H](O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000069706667 396087995 /nfs/dbraw/zinc/08/79/95/396087995.db2.gz HESXALZYLKHVQY-IAGOWNOFSA-N 2 0 313.486 0.732 50 0 DCAARP Cc1nn(CCO)c(C)c1C[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069370624 396076066 /nfs/dbraw/zinc/07/60/66/396076066.db2.gz SWXVJSMDUVRTEP-CYBMUJFWSA-N 2 0 324.469 0.675 50 0 DCAARP OCC[NH+]1CCC(C[NH2+]Cc2nc(-c3cccnc3)no2)CC1 ZINC000069565184 396082817 /nfs/dbraw/zinc/08/28/17/396082817.db2.gz XEBXRNPCZZWGKU-UHFFFAOYSA-N 2 0 317.393 0.926 50 0 DCAARP CN(C[C@H]1CC[N@H+](C)C1(C)C)C(=O)CN1CCC[NH+](C)CC1 ZINC000584886734 396632243 /nfs/dbraw/zinc/63/22/43/396632243.db2.gz XHJRIANIFKIOFU-OAHLLOKOSA-N 2 0 310.486 0.813 50 0 DCAARP CC[N@@H+]1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000095351193 415549819 /nfs/dbraw/zinc/54/98/19/415549819.db2.gz GBWNAWLHRDLYRX-UHFFFAOYSA-N 2 0 308.470 0.757 50 0 DCAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000299739086 287684654 /nfs/dbraw/zinc/68/46/54/287684654.db2.gz KJKAIDORSPUFEE-OAGGEKHMSA-N 2 0 308.470 0.613 50 0 DCAARP CC[NH+](CC)Cc1cnc2c(C(=O)N[C@H]3CC[NH2+]C3)cnn2c1 ZINC000071278570 279139148 /nfs/dbraw/zinc/13/91/48/279139148.db2.gz NDDFXKWVYIATCK-ZDUSSCGKSA-N 2 0 316.409 0.663 50 0 DCAARP CC1CC[NH+](Cc2ccc(C(=O)N[C@@H]3C[NH2+]C[C@H]3O)o2)CC1 ZINC000534584242 334289949 /nfs/dbraw/zinc/28/99/49/334289949.db2.gz HXCVZOSXYYESEU-ZIAGYGMSSA-N 2 0 307.394 0.574 50 0 DCAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC(=O)NCc2ccco2)CC1 ZINC000072135347 685073156 /nfs/dbraw/zinc/07/31/56/685073156.db2.gz RLOHRHQJPSAQDD-MRXNPFEDSA-N 2 0 309.410 0.674 50 0 DCAARP COCC[NH+]1CCC(CN(C)Cc2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072164320 191063853 /nfs/dbraw/zinc/06/38/53/191063853.db2.gz BYHIMPUGKGVCKI-UHFFFAOYSA-N 2 0 321.469 0.777 50 0 DCAARP C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CCc1cc3n(n1)CC[NH2+]C3)C2 ZINC000072433446 191163800 /nfs/dbraw/zinc/16/38/00/191163800.db2.gz ALOWVFKIJBJVIS-LSDHHAIUSA-N 2 0 317.437 0.614 50 0 DCAARP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)c1 ZINC000237372858 202246566 /nfs/dbraw/zinc/24/65/66/202246566.db2.gz YRUGMRIPGVXNCC-ZIAGYGMSSA-N 2 0 304.394 0.866 50 0 DCAARP Cc1ncc(CN2CCN(c3cnn(C)c(=O)c3)CC2)n1C ZINC000020598142 395691269 /nfs/dbraw/zinc/69/12/69/395691269.db2.gz CZWIQLPPJFQMNE-UHFFFAOYSA-N 2 0 302.382 0.144 50 0 DCAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCN2CCOCC2)CC1 ZINC000089895942 395715774 /nfs/dbraw/zinc/71/57/74/395715774.db2.gz TXQOFPRDSNQYAF-MRXNPFEDSA-N 2 0 313.486 0.733 50 0 DCAARP C[NH+](C)[C@@H]1CCN(c2nccnc2N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000195565366 395831931 /nfs/dbraw/zinc/83/19/31/395831931.db2.gz OMEGFJUMSQYKLB-ZIAGYGMSSA-N 2 0 304.442 0.757 50 0 DCAARP C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@H](C)[NH2+]1 ZINC000154114233 396031222 /nfs/dbraw/zinc/03/12/22/396031222.db2.gz FJNKUIINQUODGD-OKILXGFUSA-N 2 0 317.437 0.656 50 0 DCAARP C[N@@H+](CC(N)=O)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000069490239 415397933 /nfs/dbraw/zinc/39/79/33/415397933.db2.gz JPBVRSNJXQTSKL-MRXNPFEDSA-N 2 0 305.422 0.849 50 0 DCAARP CCn1ncnc1CN1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000215252102 416327019 /nfs/dbraw/zinc/32/70/19/416327019.db2.gz GVPMTGPUMDFEPH-OAHLLOKOSA-N 2 0 306.458 0.757 50 0 DCAARP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000174534752 279301019 /nfs/dbraw/zinc/30/10/19/279301019.db2.gz KLJBUIIGPIAYDM-CQSZACIVSA-N 2 0 320.441 0.759 50 0 DCAARP Cc1nn(CCO)c(C)c1C[NH2+]CCNc1cc[nH+]cc1C ZINC000952962307 685598466 /nfs/dbraw/zinc/59/84/66/685598466.db2.gz BWXFRRWJBHIFRW-UHFFFAOYSA-N 2 0 303.410 0.819 50 0 DCAARP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000082126260 685082678 /nfs/dbraw/zinc/08/26/78/685082678.db2.gz IDWDKZRDBSQHEJ-HNNXBMFYSA-N 2 0 305.426 0.756 50 0 DCAARP CN(C)S(=O)(=O)CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1(C)C ZINC000823690406 758261909 /nfs/dbraw/zinc/26/19/09/758261909.db2.gz WVINNUSQMATRFW-ZDUSSCGKSA-N 2 0 305.488 0.930 50 0 DCAARP CN(CCCc1cnn(C)c1)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072166857 191067121 /nfs/dbraw/zinc/06/71/21/191067121.db2.gz PBPBDCAZDIZTIU-HNNXBMFYSA-N 2 0 319.453 0.543 50 0 DCAARP Cc1cc(NC(=O)C[N@H+](C)CC2CC[NH+](CCO)CC2)n(C)n1 ZINC000069948984 396095969 /nfs/dbraw/zinc/09/59/69/396095969.db2.gz YAMPRKLUUUZCQH-UHFFFAOYSA-N 2 0 323.441 0.303 50 0 DCAARP NC(=O)CC[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000072253928 396128254 /nfs/dbraw/zinc/12/82/54/396128254.db2.gz IQHZOMYWADRUQB-INIZCTEOSA-N 2 0 305.422 0.897 50 0 DCAARP c1nc2c(c(N[C@H]3COC[C@@H]3[NH+]3CCCCC3)n1)CC[NH2+]CC2 ZINC000072407118 396131682 /nfs/dbraw/zinc/13/16/82/396131682.db2.gz MDXIYOZFLYYCLK-HOTGVXAUSA-N 2 0 317.437 0.830 50 0 DCAARP CC1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3O)o2)CC1 ZINC000077375817 396220219 /nfs/dbraw/zinc/22/02/19/396220219.db2.gz RCYKMBYBVOYCHY-HUUCEWRRSA-N 2 0 321.421 0.964 50 0 DCAARP C[C@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[NH2+]1 ZINC000155221146 415994936 /nfs/dbraw/zinc/99/49/36/415994936.db2.gz HBJMQHGKRSEAIL-ZDUSSCGKSA-N 2 0 303.410 0.267 50 0 DCAARP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000952986666 685602045 /nfs/dbraw/zinc/60/20/45/685602045.db2.gz JPQVEPFOIOBHKQ-HNNXBMFYSA-N 2 0 308.470 0.757 50 0 DCAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NC2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC000065397198 685063105 /nfs/dbraw/zinc/06/31/05/685063105.db2.gz FVAMIMRXGOBMOA-FZKQIMNGSA-N 3 0 322.497 0.905 50 0 DCAARP Cc1nn(CCO)c(C)c1C[N@H+]1CCC[C@](O)(C[NH+](C)C)CC1 ZINC000072152178 685075596 /nfs/dbraw/zinc/07/55/96/685075596.db2.gz WONAHSVVLKHDCG-QGZVFWFLSA-N 2 0 324.469 0.771 50 0 DCAARP CC1(C)CC([N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)CC(C)(C)[NH2+]1 ZINC000828896815 759119572 /nfs/dbraw/zinc/11/95/72/759119572.db2.gz XBJPBYRQBAAMLA-GJZGRUSLSA-N 2 0 311.470 0.673 50 0 DCAARP Cc1nc2c(c(NCC[N@@H+]3CCCC[C@@H]3CO)n1)CC[NH2+]CC2 ZINC000072429461 191162499 /nfs/dbraw/zinc/16/24/99/191162499.db2.gz PDGCGJRVRLVCEE-CQSZACIVSA-N 2 0 319.453 0.732 50 0 DCAARP COCC[N@H+](C)CCNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000108382604 395789267 /nfs/dbraw/zinc/78/92/67/395789267.db2.gz DUEQEMMRQUYRTO-GJZGRUSLSA-N 2 0 312.458 0.690 50 0 DCAARP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(N)=O ZINC000069895166 396094064 /nfs/dbraw/zinc/09/40/64/396094064.db2.gz DFKWCFCCKIEVSK-XJKSGUPXSA-N 2 0 305.422 0.895 50 0 DCAARP Cc1cc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)nc(N)[nH+]1 ZINC000069535241 396082102 /nfs/dbraw/zinc/08/21/02/396082102.db2.gz OMXQAFJJPCYOBF-CQSZACIVSA-N 2 0 304.442 0.974 50 0 DCAARP Cc1ccsc1[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)[NH+](C)C ZINC000077470366 396223312 /nfs/dbraw/zinc/22/33/12/396223312.db2.gz OBWKPZMTGWWGFF-GFCCVEGCSA-N 2 0 322.438 0.639 50 0 DCAARP Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])nnn1C1CC[NH2+]CC1 ZINC000237827297 416328804 /nfs/dbraw/zinc/32/88/04/416328804.db2.gz OCIIAERKWSEJIM-TZMCWYRMSA-N 2 0 320.441 0.758 50 0 DCAARP Nc1cc[nH+]cc1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261743998 661606709 /nfs/dbraw/zinc/60/67/09/661606709.db2.gz DVIFHVSDMGRTJM-NSHDSACASA-N 2 0 317.315 0.230 50 0 DCAARP Cn1ccnc1SCCNC(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072148369 191054841 /nfs/dbraw/zinc/05/48/41/191054841.db2.gz UMFYPTGRQIKDPV-LBPRGKRZSA-N 2 0 323.466 0.360 50 0 DCAARP CCC[C@H]1CN(c2nc(NC)cc(C)[nH+]2)C[C@@H]1NC(=O)C[NH2+]C ZINC000091817972 193112206 /nfs/dbraw/zinc/11/22/06/193112206.db2.gz ZXFJTKYQKHAAEB-STQMWFEESA-N 2 0 320.441 0.767 50 0 DCAARP COCC[NH2+]CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000253416009 202876977 /nfs/dbraw/zinc/87/69/77/202876977.db2.gz KJTSCRJWBNRKLN-UHFFFAOYSA-N 2 0 315.439 0.263 50 0 DCAARP O=C(NCCc1c[nH]cn1)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065431904 184344164 /nfs/dbraw/zinc/34/41/64/184344164.db2.gz GXCOXODGQDRTEO-CXAGYDPISA-N 2 0 317.437 0.532 50 0 DCAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCC(=O)NC2CCCCC2)C1 ZINC000065395547 184335470 /nfs/dbraw/zinc/33/54/70/184335470.db2.gz DLLHINIFKVKQHK-CXAGYDPISA-N 2 0 322.453 0.093 50 0 DCAARP Cc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCC2)cc1OCC[NH3+] ZINC000426622873 257245255 /nfs/dbraw/zinc/24/52/55/257245255.db2.gz BMPMBKAHROQBAF-HNNXBMFYSA-N 2 0 321.421 0.519 50 0 DCAARP O=C(NCC[NH+]1CCC(c2ccccc2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000214969584 395836791 /nfs/dbraw/zinc/83/67/91/395836791.db2.gz LFELBACXVUQBCE-KRWDZBQOSA-N 2 0 317.433 0.971 50 0 DCAARP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1)C(C)C ZINC000055281226 395915436 /nfs/dbraw/zinc/91/54/36/395915436.db2.gz VFZVDLHMUHGCGI-CQSZACIVSA-N 2 0 312.458 0.419 50 0 DCAARP COCC[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000229513659 395874540 /nfs/dbraw/zinc/87/45/40/395874540.db2.gz HESXALZYLKHVQY-IRXDYDNUSA-N 2 0 313.486 0.732 50 0 DCAARP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000277881409 396093115 /nfs/dbraw/zinc/09/31/15/396093115.db2.gz OANPCIQPGQVNNM-JKSUJKDBSA-N 2 0 303.406 0.444 50 0 DCAARP c1nc2c(c(N[C@H]3COC[C@@H]3[NH+]3CCCC3)n1)CC[NH2+]CC2 ZINC000072431099 396131559 /nfs/dbraw/zinc/13/15/59/396131559.db2.gz IYXXNZDYTQXHEL-GJZGRUSLSA-N 2 0 303.410 0.440 50 0 DCAARP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000324023191 159013476 /nfs/dbraw/zinc/01/34/76/159013476.db2.gz OANPCIQPGQVNNM-HOTGVXAUSA-N 2 0 303.406 0.444 50 0 DCAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000249080940 525019685 /nfs/dbraw/zinc/01/96/85/525019685.db2.gz QMQATYSCEHSYTK-FVQBIDKESA-N 2 0 318.421 0.397 50 0 DCAARP CC[C@H](C(=O)NCC1(C[NH+]2CCN(C)CC2)CC1)[N@H+](C)CC ZINC000952965625 685598224 /nfs/dbraw/zinc/59/82/24/685598224.db2.gz SJCBJVBQPFGIKL-OAHLLOKOSA-N 2 0 310.486 0.861 50 0 DCAARP CC[NH+]1CCC(C[NH2+][C@@H](C)CS(C)(=O)=O)(N(C)C)CC1 ZINC000823107383 758223435 /nfs/dbraw/zinc/22/34/35/758223435.db2.gz VOXHOPZQUPCFHN-ZDUSSCGKSA-N 2 0 305.488 0.425 50 0 DCAARP C[NH+](C)CCNC(=O)c1ccccc1C(=O)NCC[NH+](C)C ZINC000071770727 191030291 /nfs/dbraw/zinc/03/02/91/191030291.db2.gz VRLMAFKGSAWDSH-UHFFFAOYSA-N 2 0 306.410 0.269 50 0 DCAARP CCC[C@H](C(=O)NCCNC(=O)[C@H](CCC)[NH+](C)C)[NH+](C)C ZINC000015772432 182015461 /nfs/dbraw/zinc/01/54/61/182015461.db2.gz VGQXBPYIYSSXJG-OKILXGFUSA-N 2 0 314.474 0.679 50 0 DCAARP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000101387986 285023171 /nfs/dbraw/zinc/02/31/71/285023171.db2.gz COWAKUPMGRTIFD-CVEARBPZSA-N 2 0 322.453 0.753 50 0 DCAARP O=c1[nH]cc(CC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)c(=O)[nH]1 ZINC000067654880 396029991 /nfs/dbraw/zinc/02/99/91/396029991.db2.gz OTJALOBXDGWSCV-UHFFFAOYSA-N 2 0 306.410 0.508 50 0 DCAARP C[N@H+](CC1CC[NH+](CCO)CC1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000070004899 396097309 /nfs/dbraw/zinc/09/73/09/396097309.db2.gz NOFLHZNGYNGJLT-MRXNPFEDSA-N 2 0 323.412 0.988 50 0 DCAARP O=C(C[N@H+]1CCC[C@H](O)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000584886432 396632405 /nfs/dbraw/zinc/63/24/05/396632405.db2.gz XHRJXURXCGQDPD-INIZCTEOSA-N 2 0 309.454 0.778 50 0 DCAARP CN1C(=O)[C@H]2C[N@H+](C[C@@H]3CCC[NH+]4CCCC[C@H]34)C[C@H]2C1=O ZINC000072164907 415409749 /nfs/dbraw/zinc/40/97/49/415409749.db2.gz RBBSRGFBTHJVJA-BYNSBNAKSA-N 2 0 305.422 0.798 50 0 DCAARP COCC[N@H+](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000221813818 416327689 /nfs/dbraw/zinc/32/76/89/416327689.db2.gz DVZJDUONXLNQLK-ZBFHGGJFSA-N 2 0 324.469 0.975 50 0 DCAARP C[NH+](C)C[C@]1(O)C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000019773781 289222704 /nfs/dbraw/zinc/22/27/04/289222704.db2.gz KPNOGINVJNKHKQ-ABHNRTSZSA-N 2 0 301.434 0.478 50 0 DCAARP CC(C)[N@@H+]1CCO[C@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)C1 ZINC000534660580 334313786 /nfs/dbraw/zinc/31/37/86/334313786.db2.gz LKASEEQYJVMBNP-LJIZCISZSA-N 2 0 307.438 0.695 50 0 DCAARP CC(C)[NH+]1CCN(CCC(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000864057967 667207385 /nfs/dbraw/zinc/20/73/85/667207385.db2.gz PTGMGWQJFOZTDB-HOTGVXAUSA-N 2 0 310.486 0.954 50 0 DCAARP C[C@H]1CCCC[N@@H+]1C1CN(c2nc(N)nc3c2CC[NH2+]CC3)C1 ZINC000072447689 685075552 /nfs/dbraw/zinc/07/55/52/685075552.db2.gz SFWKBIHEUCCXQQ-LBPRGKRZSA-N 2 0 316.453 0.810 50 0 DCAARP CCc1nnc(CNC(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)s1 ZINC000072427238 685075804 /nfs/dbraw/zinc/07/58/04/685075804.db2.gz QBZAQAUSSQIASV-LLVKDONJSA-N 2 0 323.466 0.791 50 0 DCAARP O=C([C@H]1CCC[NH2+]CC1)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000828629981 759049184 /nfs/dbraw/zinc/04/91/84/759049184.db2.gz BHPHZVRZNKTXFM-AWEZNQCLSA-N 2 0 309.454 0.824 50 0 DCAARP [NH3+][C@H](Cc1ccco1)C(=O)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072426936 191161139 /nfs/dbraw/zinc/16/11/39/191161139.db2.gz BEYHGQFMJQVQOW-MRXNPFEDSA-N 2 0 321.421 0.597 50 0 DCAARP C[NH+](C)CCOC(=O)NCCCCNC(=O)OCC[NH+](C)C ZINC000004413810 181107945 /nfs/dbraw/zinc/10/79/45/181107945.db2.gz ZGPLTEWEFJAORN-UHFFFAOYSA-N 2 0 318.418 0.342 50 0 DCAARP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)c1 ZINC000237372833 202246611 /nfs/dbraw/zinc/24/66/11/202246611.db2.gz YRUGMRIPGVXNCC-KGLIPLIRSA-N 2 0 304.394 0.866 50 0 DCAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000188281305 200221121 /nfs/dbraw/zinc/22/11/21/200221121.db2.gz QMQATYSCEHSYTK-VNQPRFMTSA-N 2 0 318.421 0.397 50 0 DCAARP Cc1cc[nH+]c(NCCNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)C3)c1 ZINC000065425691 184342899 /nfs/dbraw/zinc/34/28/99/184342899.db2.gz NYGHUVFXUCQIIQ-CZUORRHYSA-N 3 0 303.410 0.069 50 0 DCAARP Cc1cc(C[NH+]2CCC(Cn3cc(C[NH3+])nn3)CC2)n(C)n1 ZINC000023231374 395692294 /nfs/dbraw/zinc/69/22/94/395692294.db2.gz MQFLJHJGSJUYKO-UHFFFAOYSA-N 2 0 303.414 0.691 50 0 DCAARP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000195554280 395831643 /nfs/dbraw/zinc/83/16/43/395831643.db2.gz GWIOMXVYEIEQQS-XHSDSOJGSA-N 2 0 310.486 0.988 50 0 DCAARP Cc1cc(NCC[N@@H+]2CCC[C@H](O)C2)nc(N2CCOCC2)[nH+]1 ZINC000065535253 395993952 /nfs/dbraw/zinc/99/39/52/395993952.db2.gz AXCSIVPDHGRJIK-AWEZNQCLSA-N 2 0 321.425 0.490 50 0 DCAARP CNC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CCN(Cc2cccn2C)CC1 ZINC000257173983 396034066 /nfs/dbraw/zinc/03/40/66/396034066.db2.gz AYKFVZZZNBHYGA-CVEARBPZSA-N 2 0 320.437 0.171 50 0 DCAARP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cccn2)CC1 ZINC000069632038 396085694 /nfs/dbraw/zinc/08/56/94/396085694.db2.gz WCTWDHSJRCJCCG-INIZCTEOSA-N 2 0 319.453 0.948 50 0 DCAARP CCOCC[NH+]1CCN(C[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000069627118 396085500 /nfs/dbraw/zinc/08/55/00/396085500.db2.gz YAMQCKNJLXUETN-KRWDZBQOSA-N 2 0 313.486 0.733 50 0 DCAARP COCC1(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C2CCCC2)C3)CC1 ZINC000065507543 292244391 /nfs/dbraw/zinc/24/43/91/292244391.db2.gz MMPJGRPCEOOBDQ-RDTXWAMCSA-N 2 0 321.465 0.993 50 0 DCAARP C[NH+]1CCN(CCOc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000215165981 416327095 /nfs/dbraw/zinc/32/70/95/416327095.db2.gz RHDQVWCQUSIUJD-QGZVFWFLSA-N 2 0 319.449 0.879 50 0 DCAARP O=S1(=O)CC[C@@H](CC[NH+]2CCC3(CC2)C[NH2+]CCO3)C1 ZINC000828394704 759002665 /nfs/dbraw/zinc/00/26/65/759002665.db2.gz ZYGKMOCBPJDHIR-CYBMUJFWSA-N 2 0 302.440 0.266 50 0 DCAARP CCC[NH+]1CCC(N2CC[NH+](C[C@@H](O)COCC)CC2)CC1 ZINC000079099964 185158183 /nfs/dbraw/zinc/15/81/83/185158183.db2.gz RTFDRZQMGCSSSA-QGZVFWFLSA-N 2 0 313.486 0.876 50 0 DCAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3[nH]cnc3C)CC[C@H]21 ZINC000072475701 191177926 /nfs/dbraw/zinc/17/79/26/191177926.db2.gz MBGUZKQOQSXTQE-DZGCQCFKSA-N 2 0 305.426 0.750 50 0 DCAARP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000221349086 395850671 /nfs/dbraw/zinc/85/06/71/395850671.db2.gz GWIOMXVYEIEQQS-JYJNAYRXSA-N 2 0 310.486 0.988 50 0 DCAARP CC(=O)N1CCC[N@@H+]([C@@H]2CN(Cc3ncc[nH]3)C[C@@H]2C)CC1 ZINC000229922237 395876803 /nfs/dbraw/zinc/87/68/03/395876803.db2.gz DNCHFYDQPFATCK-DZGCQCFKSA-N 2 0 305.426 0.784 50 0 DCAARP C[N@@H+](CC(=O)Nc1cccnc1)CC1CC[NH+](CCO)CC1 ZINC000069948980 396096142 /nfs/dbraw/zinc/09/61/42/396096142.db2.gz KBLGEVLLMZVQHT-UHFFFAOYSA-N 2 0 306.410 0.656 50 0 DCAARP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000261912123 396078813 /nfs/dbraw/zinc/07/88/13/396078813.db2.gz TZMRQBIFZPKRCJ-MNOVXSKESA-N 2 0 308.348 0.081 50 0 DCAARP C[NH+]1CCC(OCCCNC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000584886088 396632127 /nfs/dbraw/zinc/63/21/27/396632127.db2.gz NSGBWDVADNTFSZ-OAHLLOKOSA-N 2 0 309.454 0.993 50 0 DCAARP C[C@@H](O)[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000299777543 416067330 /nfs/dbraw/zinc/06/73/30/416067330.db2.gz DTAJLAXBGXLJDA-ABAIWWIYSA-N 2 0 307.394 0.181 50 0 DCAARP C[NH+](C)C[C@H](O)CN1CC[NH+](C2CSCCSC2)CC1 ZINC001506405907 1017256682 /nfs/dbraw/zinc/25/66/82/1017256682.db2.gz XOQDNCDPRPXIHG-AWEZNQCLSA-N 2 0 319.540 0.375 50 0 DCAARP c1c(CN2CCC(Nc3ncccn3)CC2)nn2c1C[NH2+]CC2 ZINC000072166721 191067056 /nfs/dbraw/zinc/06/70/56/191067056.db2.gz QJMDAZLQJYNHLD-UHFFFAOYSA-N 2 0 313.409 0.853 50 0 DCAARP O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCC[NH+]1CCCCC1 ZINC000426740682 257243166 /nfs/dbraw/zinc/24/31/66/257243166.db2.gz YSRFYZSEBXXWRU-HNNXBMFYSA-N 2 0 319.453 0.952 50 0 DCAARP CCn1c(CN2CCC(NC(C)=O)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244874352 395925666 /nfs/dbraw/zinc/92/56/66/395925666.db2.gz WZWLKQNYAQPWFV-JOCQHMNTSA-N 2 0 320.441 0.603 50 0 DCAARP C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H](C)[NH2+]1 ZINC000154114442 396031653 /nfs/dbraw/zinc/03/16/53/396031653.db2.gz FJNKUIINQUODGD-ZIAGYGMSSA-N 2 0 317.437 0.656 50 0 DCAARP OCc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H](O)C2)o1 ZINC000097137123 415585002 /nfs/dbraw/zinc/58/50/02/415585002.db2.gz IODDXVWFTLOPKY-CQSZACIVSA-N 2 0 303.362 0.850 50 0 DCAARP [NH3+][C@H]1CCN(Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000215291947 416327102 /nfs/dbraw/zinc/32/71/02/416327102.db2.gz AFBXNWCQVOUNGX-INIZCTEOSA-N 2 0 305.422 0.931 50 0 DCAARP CC[N@@H+]1CCC[C@H]1CN1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC001529158843 1014509483 /nfs/dbraw/zinc/50/94/83/1014509483.db2.gz NZDDXVWINLSKEW-SFHVURJKSA-N 2 0 324.513 0.545 50 0 DCAARP CCc1[nH+]c(N)nc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000091847961 193117252 /nfs/dbraw/zinc/11/72/52/193117252.db2.gz TYXJTGFYAXQSHE-GFCCVEGCSA-N 2 0 320.441 0.929 50 0 DCAARP CN(Cc1nc2c(s1)CCCC2)C(=O)C12C[NH2+]CC1C[NH2+]C2 ZINC000065417756 184341423 /nfs/dbraw/zinc/34/14/23/184341423.db2.gz SOOSQOGIQUOXBL-UHFFFAOYSA-N 2 0 320.462 0.789 50 0 DCAARP COc1cc(CCNC(=O)C23C[NH2+]CC2C[NH2+]C3)cc(OC)c1 ZINC000065508301 184356930 /nfs/dbraw/zinc/35/69/30/184356930.db2.gz JDWYTYVXKXMNSI-UHFFFAOYSA-N 2 0 319.405 0.172 50 0 DCAARP Cc1cc(C)n([C@@H](C)CNC(=O)CN(C)C2CC[NH2+]CC2)n1 ZINC000216482603 257273715 /nfs/dbraw/zinc/27/37/15/257273715.db2.gz OREJMRKEDIYLJT-AWEZNQCLSA-N 2 0 307.442 0.861 50 0 DCAARP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@@H+](C1CCOCC1)C2 ZINC000219511352 395845672 /nfs/dbraw/zinc/84/56/72/395845672.db2.gz LAACYMQRTOICIG-MRXNPFEDSA-N 2 0 308.426 0.863 50 0 DCAARP CC(C)N1NC(=C2C=c3cc(O)ccc3=[NH+]2)c2c1[nH+]cnc2N ZINC000110786306 395801425 /nfs/dbraw/zinc/80/14/25/395801425.db2.gz MTICIDWIKCANDD-WYMLVPIESA-N 2 0 308.345 0.280 50 0 in-vitro DCAARP Cc1c(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])nnn1C1CC[NH2+]CC1 ZINC000237828420 395919189 /nfs/dbraw/zinc/91/91/89/395919189.db2.gz OCIIAERKWSEJIM-GXTWGEPZSA-N 2 0 320.441 0.758 50 0 DCAARP CN1CCN2CC[N@H+](Cc3cccc(C[NH+](C)C)c3)C[C@@H]2C1=O ZINC000067955222 396040677 /nfs/dbraw/zinc/04/06/77/396040677.db2.gz ZATLFPBNEQCUKK-QGZVFWFLSA-N 2 0 316.449 0.706 50 0 DCAARP CC(C)[NH+]1CCC(C[N@@H+]2CC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000067974615 396041775 /nfs/dbraw/zinc/04/17/75/396041775.db2.gz ZABBOCXFROXBRD-HNNXBMFYSA-N 2 0 317.499 0.978 50 0 DCAARP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(N)=O ZINC000069895165 396093772 /nfs/dbraw/zinc/09/37/72/396093772.db2.gz DFKWCFCCKIEVSK-CJNGLKHVSA-N 2 0 305.422 0.895 50 0 DCAARP C[N@@H+](CC(=O)NCC(F)(F)F)CC1CC[NH+](CCO)CC1 ZINC000069949007 396096644 /nfs/dbraw/zinc/09/66/44/396096644.db2.gz ABHPXNZQJPPOTM-UHFFFAOYSA-N 2 0 311.348 0.301 50 0 DCAARP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)Cn2cc(C)cn2)CC1 ZINC000072267518 396127742 /nfs/dbraw/zinc/12/77/42/396127742.db2.gz MVVYRLLOVGZNFX-CQSZACIVSA-N 2 0 307.442 0.770 50 0 DCAARP Cc1cnn([C@H](C)[C@@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000069536160 396082056 /nfs/dbraw/zinc/08/20/56/396082056.db2.gz PBQRCGOAWLKLSB-OAGGEKHMSA-N 2 0 309.458 0.339 50 0 DCAARP Cc1ccsc1[C@H](CNC(=O)c1cn(CC[NH3+])nn1)[NH+](C)C ZINC000077470367 396223139 /nfs/dbraw/zinc/22/31/39/396223139.db2.gz OBWKPZMTGWWGFF-LBPRGKRZSA-N 2 0 322.438 0.639 50 0 DCAARP COC(=O)C(C)(C)NC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065372435 415358123 /nfs/dbraw/zinc/35/81/23/415358123.db2.gz ZCFGEJAEEMZCGB-SJKOYZFVSA-N 2 0 323.437 0.518 50 0 DCAARP CC(C)n1cnnc1CN(C)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072140358 415411178 /nfs/dbraw/zinc/41/11/78/415411178.db2.gz GKKJQADLIUTMCF-ZDUSSCGKSA-N 2 0 320.441 0.549 50 0 DCAARP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)[C@@H](C)C1 ZINC000195549043 416326822 /nfs/dbraw/zinc/32/68/22/416326822.db2.gz NKJAGQFJJYLIBZ-MJBXVCDLSA-N 2 0 303.472 0.730 50 0 DCAARP O=C(CC[NH+]1CCCCC1)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082121287 192359377 /nfs/dbraw/zinc/35/93/77/192359377.db2.gz YJBMWJGNWOWGRS-UHFFFAOYSA-N 2 0 305.426 0.869 50 0 DCAARP C[NH+](C)[C@H]1CCN(c2cc(N3CC[C@H]([NH+](C)C)C3)ncn2)C1 ZINC000097096767 282264235 /nfs/dbraw/zinc/26/42/35/282264235.db2.gz BYEICLBYRVDPPU-KBPBESRZSA-N 2 0 304.442 0.757 50 0 DCAARP COC[C@@H](O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171972827 198019197 /nfs/dbraw/zinc/01/91/97/198019197.db2.gz VIPHPQNBLSRNEN-FMKPAKJESA-N 2 0 300.443 0.815 50 0 DCAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000237432246 202263817 /nfs/dbraw/zinc/26/38/17/202263817.db2.gz KJKAIDORSPUFEE-BZUAXINKSA-N 2 0 308.470 0.613 50 0 DCAARP C[N@@H+]1CCN(C(=O)CCC[NH2+]Cc2ccccc2)C[C@@H](O)C1 ZINC000097334162 395756830 /nfs/dbraw/zinc/75/68/30/395756830.db2.gz FZTHOKXTTLZSRS-INIZCTEOSA-N 2 0 305.422 0.691 50 0 DCAARP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](O)C1 ZINC000252476936 396019784 /nfs/dbraw/zinc/01/97/84/396019784.db2.gz FAVNJACNRPXFQT-OAGGEKHMSA-N 2 0 324.469 0.711 50 0 DCAARP Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)CC2 ZINC000069893002 396094050 /nfs/dbraw/zinc/09/40/50/396094050.db2.gz FWUIGUWZQOSWNL-GJZGRUSLSA-N 2 0 307.442 0.584 50 0 DCAARP C[NH+](C)[C@H]1CCN(CC(=O)N2CC[NH+](CC3CCCC3)CC2)C1 ZINC000584903470 396636990 /nfs/dbraw/zinc/63/69/90/396636990.db2.gz WYPDYYTWVOVWSF-KRWDZBQOSA-N 2 0 322.497 0.957 50 0 DCAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCS(C)(=O)=O)CC1 ZINC000069663283 415400071 /nfs/dbraw/zinc/40/00/71/415400071.db2.gz QUGJGOKMWGUXSY-CYBMUJFWSA-N 2 0 306.472 0.446 50 0 DCAARP Cc1n[nH]c(C)c1CCCNC(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072154628 191059046 /nfs/dbraw/zinc/05/90/46/191059046.db2.gz CZITXXDNBUCFQN-OAHLLOKOSA-N 2 0 319.453 0.807 50 0 DCAARP CC[N@@H+]1C[C@H](NC(=O)c2cccc(OCC[NH3+])c2)[C@@H](OC)C1 ZINC000426640532 257245024 /nfs/dbraw/zinc/24/50/24/257245024.db2.gz RADMEHOHISOGSC-GJZGRUSLSA-N 2 0 307.394 0.473 50 0 DCAARP C[N@@H+]1CCOC[C@@H](CNC(=O)c2cccc(OCC[NH3+])c2)C1 ZINC000426398021 257252563 /nfs/dbraw/zinc/25/25/63/257252563.db2.gz HBKPURGSZOORGT-ZDUSSCGKSA-N 2 0 307.394 0.332 50 0 DCAARP C[N@H+](CCO)C1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000219142093 395844462 /nfs/dbraw/zinc/84/44/62/395844462.db2.gz AAUFVWVJUJXAPS-UHFFFAOYSA-N 2 0 320.441 0.156 50 0 DCAARP COCC[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000069706665 396087690 /nfs/dbraw/zinc/08/76/90/396087690.db2.gz HESXALZYLKHVQY-SJORKVTESA-N 2 0 313.486 0.732 50 0 DCAARP CNc1cc(C)[nH+]c(N[C@@H]2CCOC[C@H]2OCC[NH+](C)C)n1 ZINC000220152248 277301919 /nfs/dbraw/zinc/30/19/19/277301919.db2.gz MJWOIMAHXGLDFD-CHWSQXEVSA-N 2 0 309.414 0.974 50 0 DCAARP CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH2+]CC2 ZINC000299763924 527721684 /nfs/dbraw/zinc/72/16/84/527721684.db2.gz HLKVAMJZOLVCDQ-UHFFFAOYSA-N 2 0 310.442 0.981 50 0 DCAARP O=C(NCC1CC[NH+](CCO)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000111810624 668141003 /nfs/dbraw/zinc/14/10/03/668141003.db2.gz NOULJPOQZHEGCN-UHFFFAOYSA-N 2 0 324.469 0.617 50 0 DCAARP C[NH+](C)CCC[NH2+]C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000006839731 181397127 /nfs/dbraw/zinc/39/71/27/181397127.db2.gz GRPJYHXULRUHIY-AWEZNQCLSA-N 2 0 310.394 0.834 50 0 DCAARP C[NH+](C)[C@H]1CCN(c2nccnc2N2CC[C@H]([NH+](C)C)C2)C1 ZINC000097379583 395757643 /nfs/dbraw/zinc/75/76/43/395757643.db2.gz OMEGFJUMSQYKLB-KBPBESRZSA-N 2 0 304.442 0.757 50 0 DCAARP COc1cccc(C(=O)N2CC[NH+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)c1 ZINC000102637554 395770762 /nfs/dbraw/zinc/77/07/62/395770762.db2.gz LAJZJQWDVKPSEP-FVQHAEBGSA-N 2 0 315.417 0.918 50 0 DCAARP O=C1C[C@H]([NH2+]Cc2ccccn2)CN1CCN1CCOCC1 ZINC000178906932 396213810 /nfs/dbraw/zinc/21/38/10/396213810.db2.gz YXVMLGPQZPOJIN-HNNXBMFYSA-N 2 0 304.394 0.104 50 0 DCAARP CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000067649671 415377668 /nfs/dbraw/zinc/37/76/68/415377668.db2.gz JOOOAQNYBUTINW-XGUBFFRZSA-N 2 0 324.469 0.702 50 0 DCAARP CC(C)C[C@@H](NC(=O)C[NH+](C)C)c1nnc2n1CC[NH2+]CC2 ZINC000299797102 416070560 /nfs/dbraw/zinc/07/05/60/416070560.db2.gz MIWLMSCHLVXHSS-GFCCVEGCSA-N 2 0 308.430 0.189 50 0 DCAARP C[NH+](C)[C@@H]1CCN(c2cc(N3CC[C@@H]([NH+](C)C)C3)ncn2)C1 ZINC000221879041 276783250 /nfs/dbraw/zinc/78/32/50/276783250.db2.gz BYEICLBYRVDPPU-ZIAGYGMSSA-N 2 0 304.442 0.757 50 0 DCAARP CN1c2ccccc2C2(CC[NH+](C[C@]3(O)CC[NH2+]C3)CC2)C1=O ZINC000077486613 277217549 /nfs/dbraw/zinc/21/75/49/277217549.db2.gz AWTSNOSIYRFZRI-KRWDZBQOSA-N 2 0 315.417 0.721 50 0 DCAARP CN1CC[NH+](C2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCCC2)CC1 ZINC000823789382 758274954 /nfs/dbraw/zinc/27/49/54/758274954.db2.gz JORYHGQTRUBQRZ-HNNXBMFYSA-N 2 0 308.470 0.615 50 0 DCAARP CC[C@@H](CNc1nc(C)nc2c1CCN(CC[NH3+])CC2)[NH+](C)C ZINC000072479849 191181100 /nfs/dbraw/zinc/18/11/00/191181100.db2.gz AZKMCGDQNURIJV-AWEZNQCLSA-N 2 0 320.485 0.896 50 0 DCAARP [NH3+]CCc1ccc(C[N@@H+]2CCN(C(=O)C3CC3)C[C@@H](O)C2)cc1 ZINC000097076476 415581313 /nfs/dbraw/zinc/58/13/13/415581313.db2.gz RIAWCKLRPNEGQV-KRWDZBQOSA-N 2 0 317.433 0.603 50 0 DCAARP [NH3+][C@H]1CCN(Cc2ccccc2OCCN2CCOCC2)C1 ZINC000215052134 416327010 /nfs/dbraw/zinc/32/70/10/416327010.db2.gz BRFRDPZJWVVEJV-INIZCTEOSA-N 2 0 305.422 0.931 50 0 DCAARP CCc1ccc([C@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[NH+](C)C)cc1 ZINC000236981033 416328172 /nfs/dbraw/zinc/32/81/72/416328172.db2.gz IZWXRACUKWBERK-OAGGEKHMSA-N 2 0 305.422 0.691 50 0 DCAARP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000237213380 416328355 /nfs/dbraw/zinc/32/83/55/416328355.db2.gz FFGSXIVDKOLQGZ-KRWDZBQOSA-N 2 0 316.449 0.997 50 0 DCAARP O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000238096884 416329839 /nfs/dbraw/zinc/32/98/39/416329839.db2.gz YRDFLRLMRMKANH-WCQYABFASA-N 2 0 304.325 0.350 50 0 DCAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000299739594 229371763 /nfs/dbraw/zinc/37/17/63/229371763.db2.gz QMQATYSCEHSYTK-BMFZPTHFSA-N 2 0 318.421 0.397 50 0 DCAARP C[NH+](C)[C@H]1CCCN(C(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)C1 ZINC000244774171 282255597 /nfs/dbraw/zinc/25/55/97/282255597.db2.gz PPBHISPQKWPDCD-MJBXVCDLSA-N 2 0 320.441 0.887 50 0 DCAARP O[C@H](CNc1ncnc2c1CC[NH2+]CC2)C[NH+]1CCCCCC1 ZINC000072422822 191158049 /nfs/dbraw/zinc/15/80/49/191158049.db2.gz FPEVPXMZLLHNPC-CQSZACIVSA-N 2 0 319.453 0.814 50 0 DCAARP O=C(C[NH+]1CCCCC1)NCCNC(=O)C[NH+]1CCCCC1 ZINC000004197586 181084434 /nfs/dbraw/zinc/08/44/34/181084434.db2.gz ATRZMNWPVCYNHP-UHFFFAOYSA-N 2 0 310.442 0.191 50 0 DCAARP Cc1cc(N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)nc(N)[nH+]1 ZINC000091526802 193069926 /nfs/dbraw/zinc/06/99/26/193069926.db2.gz LBMVWNPODSLIOS-ZIAGYGMSSA-N 2 0 305.426 0.898 50 0 DCAARP CC(C)(CNc1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1)N1CCOCC1 ZINC000244882509 395925932 /nfs/dbraw/zinc/92/59/32/395925932.db2.gz XTFOZJDCKXIWAN-TXEJJXNPSA-N 2 0 320.441 0.786 50 0 DCAARP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000276650293 396018150 /nfs/dbraw/zinc/01/81/50/396018150.db2.gz OANPCIQPGQVNNM-HZPDHXFCSA-N 2 0 303.406 0.444 50 0 DCAARP O[C@@H](C[NH2+]CCCC[NH2+]C[C@H](O)C(F)(F)F)C(F)(F)F ZINC000004050482 296561205 /nfs/dbraw/zinc/56/12/05/296561205.db2.gz ODDKDYALYCGAFA-YUMQZZPRSA-N 2 0 312.254 0.792 50 0 DCAARP Cc1cc(N2CCC([N@@H+]3CC[C@H](N(C)C)C3)CC2)nc(N)[nH+]1 ZINC000095518279 415565366 /nfs/dbraw/zinc/56/53/66/415565366.db2.gz VEZSAMSGQJYOEB-AWEZNQCLSA-N 2 0 304.442 0.972 50 0 DCAARP Cc1noc(C)c1CC(=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000097229003 415586899 /nfs/dbraw/zinc/58/68/99/415586899.db2.gz ITPIMBGXMZSBMK-UHFFFAOYSA-N 2 0 320.437 0.978 50 0 DCAARP C[C@@H]1CCCC[N@@H+]1C1CN(c2nc(N)nc3c2CC[NH2+]CC3)C1 ZINC000072447688 685075158 /nfs/dbraw/zinc/07/51/58/685075158.db2.gz SFWKBIHEUCCXQQ-GFCCVEGCSA-N 2 0 316.453 0.810 50 0 DCAARP CN(CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+](C)C2)C1CC[NH2+]CC1 ZINC000823666879 758258732 /nfs/dbraw/zinc/25/87/32/758258732.db2.gz ZSVAXSWFWQQQAH-HOCLYGCPSA-N 2 0 308.470 0.613 50 0 DCAARP COCCn1c(CN2CCC(OC)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244882446 395926322 /nfs/dbraw/zinc/92/63/22/395926322.db2.gz XRSXNJUTOKCPCH-BETUJISGSA-N 2 0 323.441 0.740 50 0 DCAARP Cc1noc([C@@]23C[N@H+](CC(C)C)C[C@@H]2CCN(CCO)C3)n1 ZINC000257174388 396034513 /nfs/dbraw/zinc/03/45/13/396034513.db2.gz GHIKUSOYECRQLZ-HOCLYGCPSA-N 2 0 308.426 0.902 50 0 DCAARP CC(C)C[C@@H](NC(=O)C1([NH3+])CC1)c1nnc2n1CC[NH2+]CC2 ZINC000067822129 396034617 /nfs/dbraw/zinc/03/46/17/396034617.db2.gz VVLREFMDONLTMB-LLVKDONJSA-N 2 0 306.414 0.119 50 0 DCAARP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[NH2+]CC3)cnn2c1 ZINC000067817862 396034824 /nfs/dbraw/zinc/03/48/24/396034824.db2.gz YEPYJPXJUGBGQW-UHFFFAOYSA-N 2 0 316.409 0.617 50 0 DCAARP O[C@H](C[NH2+]CCCC[NH2+]C[C@H](O)C(F)(F)F)C(F)(F)F ZINC000004050483 415130577 /nfs/dbraw/zinc/13/05/77/415130577.db2.gz ODDKDYALYCGAFA-OCAPTIKFSA-N 2 0 312.254 0.792 50 0 DCAARP Cc1cc(N2CCC([N@@H+]3CC[C@@H](N(C)C)C3)CC2)nc(N)[nH+]1 ZINC000095518280 415564541 /nfs/dbraw/zinc/56/45/41/415564541.db2.gz VEZSAMSGQJYOEB-CQSZACIVSA-N 2 0 304.442 0.972 50 0 DCAARP CC[N@@H+]1CCC[C@H]1CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000236840165 279335620 /nfs/dbraw/zinc/33/56/20/279335620.db2.gz HORPGWZCOBFLDO-AWEZNQCLSA-N 2 0 320.441 0.725 50 0 DCAARP C[NH+](C)CC1(CO)CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC001772709601 1157847545 /nfs/dbraw/zinc/84/75/45/1157847545.db2.gz OQPYHFZJNKROCL-UHFFFAOYSA-N 2 0 319.449 0.939 50 0 DCAARP O=C(C1CCC1)N1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@]3(CO)C2)CC1 ZINC001772711337 1157849738 /nfs/dbraw/zinc/84/97/38/1157849738.db2.gz HNOOSOPZFXCPLY-RHSMWYFYSA-N 2 0 307.438 0.291 50 0 DCAARP C[N@H+](CC1CC[NH+](CCO)CC1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000070004896 190848123 /nfs/dbraw/zinc/84/81/23/190848123.db2.gz NOFLHZNGYNGJLT-INIZCTEOSA-N 2 0 323.412 0.988 50 0 DCAARP [NH3+]CC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072169413 191068458 /nfs/dbraw/zinc/06/84/58/191068458.db2.gz UGRWHSMZSKKCAY-MRXNPFEDSA-N 2 0 302.422 0.758 50 0 DCAARP Cc1nc2c(c(NCC[N@@H+]3CCCC[C@H]3CO)n1)CC[NH2+]CC2 ZINC000072429462 191163497 /nfs/dbraw/zinc/16/34/97/191163497.db2.gz PDGCGJRVRLVCEE-AWEZNQCLSA-N 2 0 319.453 0.732 50 0 DCAARP CC[NH+](CC)[C@H]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000236905852 202062839 /nfs/dbraw/zinc/06/28/39/202062839.db2.gz FONZRDSSHCHONE-AWEZNQCLSA-N 2 0 320.441 0.759 50 0 DCAARP CN1CCN2CC[N@H+](Cc3cccc(C[NH+](C)C)c3)C[C@H]2C1=O ZINC000106708129 194246194 /nfs/dbraw/zinc/24/61/94/194246194.db2.gz ZATLFPBNEQCUKK-KRWDZBQOSA-N 2 0 316.449 0.706 50 0 DCAARP C[N@@H+]1C[C@H](NC(=O)C2CC[NH+](Cc3ccco3)CC2)C[C@H]1CO ZINC000065404721 184337899 /nfs/dbraw/zinc/33/78/99/184337899.db2.gz ZZUMJIVRVUYZIF-CABCVRRESA-N 2 0 321.421 0.673 50 0 DCAARP CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000237287488 257239101 /nfs/dbraw/zinc/23/91/01/257239101.db2.gz FRBZJNHQPUPDEH-IAGOWNOFSA-N 2 0 317.433 0.832 50 0 DCAARP C[C@@H]1C[NH2+]CCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000124583744 395901522 /nfs/dbraw/zinc/90/15/22/395901522.db2.gz RQHJRJHAWXJHDR-CYBMUJFWSA-N 2 0 303.410 0.267 50 0 DCAARP CCC[N@H+](CCO)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000053094426 395876277 /nfs/dbraw/zinc/87/62/77/395876277.db2.gz KUPGNWGSYQEXJG-OAHLLOKOSA-N 2 0 315.458 0.164 50 0 DCAARP [NH3+]C[C@@H]1CN(C(=O)CCC[NH+]2Cc3ccccc3C2)CCO1 ZINC000067689319 415386173 /nfs/dbraw/zinc/38/61/73/415386173.db2.gz RAMXXJYCUUQLLK-MRXNPFEDSA-N 2 0 303.406 0.969 50 0 DCAARP Cc1ccc2[nH]c(C[NH2+]CC(=O)N3CC[NH2+]CC3)cc(=O)c2c1 ZINC000095361664 415555601 /nfs/dbraw/zinc/55/56/01/415555601.db2.gz HGDDBPRDTWSYOR-UHFFFAOYSA-N 2 0 314.389 0.358 50 0 DCAARP CC[NH+](CC)Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)c(C)o1 ZINC000082087852 331989915 /nfs/dbraw/zinc/98/99/15/331989915.db2.gz ADFWLOHKCIEFKX-HUUCEWRRSA-N 2 0 309.410 0.964 50 0 DCAARP O=C(CCC[NH+]1Cc2ccccc2C1)N1C[C@@H]2[NH2+]CCO[C@H]2C1 ZINC000534632899 334308060 /nfs/dbraw/zinc/30/80/60/334308060.db2.gz KZNOIYHSWIEMOV-IRXDYDNUSA-N 2 0 315.417 0.982 50 0 DCAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCCNc2cccnc2)C1 ZINC000065433296 685064130 /nfs/dbraw/zinc/06/41/30/685064130.db2.gz JMZRVEILZGYWFC-CZUORRHYSA-N 2 0 303.410 0.151 50 0 DCAARP O=C(C1CCC1)N1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)CC1 ZINC001772711341 1157848947 /nfs/dbraw/zinc/84/89/47/1157848947.db2.gz HNOOSOPZFXCPLY-YOEHRIQHSA-N 2 0 307.438 0.291 50 0 DCAARP CC[NH+]1CCN(CC(=O)N(C)C[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000823112814 758224875 /nfs/dbraw/zinc/22/48/75/758224875.db2.gz HEKOHCXUPDFXKI-INIZCTEOSA-N 2 0 310.486 0.813 50 0 DCAARP CCOC[C@@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000079099823 185158232 /nfs/dbraw/zinc/15/82/32/185158232.db2.gz KVGQSYRUKWHVKX-INIZCTEOSA-N 2 0 300.443 0.818 50 0 DCAARP CC[N@@H+]1CCC[C@H]1CNc1c(=O)c(=O)c1NCCC[NH+](C)C ZINC000101687159 395766570 /nfs/dbraw/zinc/76/65/70/395766570.db2.gz ANERIDNGZRGAPZ-LBPRGKRZSA-N 2 0 308.426 0.542 50 0 DCAARP CN(C)C(=O)C[N@@H+]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000195572030 395832322 /nfs/dbraw/zinc/83/23/22/395832322.db2.gz OHXVFTFJECSKFY-UHFFFAOYSA-N 2 0 310.486 0.958 50 0 DCAARP NC(=O)[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000075602799 396181718 /nfs/dbraw/zinc/18/17/18/396181718.db2.gz FCPRHHLDGNGXDN-OAHLLOKOSA-N 2 0 309.385 0.646 50 0 DCAARP Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)o1 ZINC000095385331 415558148 /nfs/dbraw/zinc/55/81/48/415558148.db2.gz CKNGWWDJOOHNSJ-HZPDHXFCSA-N 2 0 307.438 0.876 50 0 DCAARP Cc1ccc(OCC[NH3+])c(C(=O)NC[C@H](O)C[NH+]2CCCC2)c1 ZINC000299779831 416068292 /nfs/dbraw/zinc/06/82/92/416068292.db2.gz LGEXMGONOVBEEW-AWEZNQCLSA-N 2 0 321.421 0.519 50 0 DCAARP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000236760875 416328191 /nfs/dbraw/zinc/32/81/91/416328191.db2.gz MDUOITVUBJJOEV-OAGGEKHMSA-N 2 0 305.422 0.721 50 0 DCAARP C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000670456735 547097643 /nfs/dbraw/zinc/09/76/43/547097643.db2.gz APDLVURLHLCZOL-HUUCEWRRSA-N 2 0 309.454 0.824 50 0 DCAARP Cc1cc(C(F)(F)F)nn1CC[NH2+]C[C@]1(O)CCC[NH2+]C1 ZINC000072428703 191161278 /nfs/dbraw/zinc/16/12/78/191161278.db2.gz RYMKJWZPSQUDTE-LBPRGKRZSA-N 2 0 306.332 0.914 50 0 DCAARP [NH3+]C[C@@H]1CN(c2nc(C3CC3)nc3c2CC[NH2+]CC3)CCO1 ZINC000072458742 191172758 /nfs/dbraw/zinc/17/27/58/191172758.db2.gz WPWIPVLVXSCVON-GFCCVEGCSA-N 2 0 303.410 0.206 50 0 DCAARP CCN(CCn1cccn1)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072476055 191177168 /nfs/dbraw/zinc/17/71/68/191177168.db2.gz RFHFUKFLDQVCLO-OAHLLOKOSA-N 2 0 319.453 0.806 50 0 DCAARP C[N@@H+]1C[C@H](NC(=O)CCC[NH2+]Cc2ccccc2)C[C@H]1CO ZINC000065395835 184335302 /nfs/dbraw/zinc/33/53/02/184335302.db2.gz SOUFADCUXCMFEE-CVEARBPZSA-N 2 0 305.422 0.738 50 0 DCAARP CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000237287428 395909301 /nfs/dbraw/zinc/90/93/01/395909301.db2.gz FRBZJNHQPUPDEH-IRXDYDNUSA-N 2 0 317.433 0.832 50 0 DCAARP C[C@H](O)C[N@@H+]1CCN(C[C@H](O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000106869151 415652038 /nfs/dbraw/zinc/65/20/38/415652038.db2.gz HODYAMGWQIFNOB-IXDOHACOSA-N 2 0 313.486 0.466 50 0 DCAARP COc1ccc2[nH]c(CNC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)nc2c1 ZINC000670473460 547101543 /nfs/dbraw/zinc/10/15/43/547101543.db2.gz FZRJMLULHADAGM-NSHDSACASA-N 2 0 314.349 0.481 50 0 DCAARP CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000864057969 667207201 /nfs/dbraw/zinc/20/72/01/667207201.db2.gz PTGMGWQJFOZTDB-HZPDHXFCSA-N 2 0 310.486 0.954 50 0 DCAARP O[C@]1(CN2CC[NH+](CCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000952877957 768942305 /nfs/dbraw/zinc/94/23/05/768942305.db2.gz XCCBHODFDDITSK-GOSISDBHSA-N 2 0 303.450 0.961 50 0 DCAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000237431141 257238738 /nfs/dbraw/zinc/23/87/38/257238738.db2.gz ZUYRHURAJWODSM-HUUCEWRRSA-N 2 0 310.486 0.988 50 0 DCAARP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2C[NH2+]CCO2)s1 ZINC000215546192 292098106 /nfs/dbraw/zinc/09/81/06/292098106.db2.gz UCJLEEPRKPFPKW-CQSZACIVSA-N 2 0 311.451 0.935 50 0 DCAARP O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCC[NH+]1CCCC1 ZINC000426389236 661563519 /nfs/dbraw/zinc/56/35/19/661563519.db2.gz IFOVJKLQEKSWKZ-CQSZACIVSA-N 2 0 305.426 0.562 50 0 DCAARP O=C(N1C[C@@H]2[NH2+]CCO[C@H]2C1)C1([NH+]2CCCC2)CCCCC1 ZINC000952873334 768937598 /nfs/dbraw/zinc/93/75/98/768937598.db2.gz VKHGSGIPARVFQI-GJZGRUSLSA-N 2 0 307.438 0.984 50 0 DCAARP CN(CCc1ccccn1)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072156823 191058608 /nfs/dbraw/zinc/05/86/08/191058608.db2.gz AJRNWXMMFVUEAZ-HNNXBMFYSA-N 2 0 302.422 0.814 50 0 DCAARP CC(C)[NH+]1CCN(CCN2CC3(CC[NH+](C)CC3)OC2=O)CC1 ZINC000072479862 191181036 /nfs/dbraw/zinc/18/10/36/191181036.db2.gz QUCXAXKDAXAMAO-UHFFFAOYSA-N 2 0 324.469 0.929 50 0 DCAARP CCCn1nc(C)c(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)C3)c1C ZINC000065376665 184331067 /nfs/dbraw/zinc/33/10/67/184331067.db2.gz QCSUNGOULQFTCV-RHSMWYFYSA-N 2 0 319.453 0.677 50 0 DCAARP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000195554275 395831767 /nfs/dbraw/zinc/83/17/67/395831767.db2.gz GWIOMXVYEIEQQS-ARFHVFGLSA-N 2 0 310.486 0.988 50 0 DCAARP CN(C(=O)[C@H]1C[C@H](O)C[NH2+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000237287521 395909535 /nfs/dbraw/zinc/90/95/35/395909535.db2.gz FRBZJNHQPUPDEH-DLBZAZTESA-N 2 0 317.433 0.832 50 0 DCAARP CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000584899160 396636446 /nfs/dbraw/zinc/63/64/46/396636446.db2.gz LWNFRZFMKPDINJ-INIZCTEOSA-N 2 0 303.406 0.969 50 0 DCAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCS(C)(=O)=O)CC1 ZINC000069663281 415400276 /nfs/dbraw/zinc/40/02/76/415400276.db2.gz QUGJGOKMWGUXSY-ZDUSSCGKSA-N 2 0 306.472 0.446 50 0 DCAARP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)(c2ccccc2)CC1 ZINC000299776434 416067872 /nfs/dbraw/zinc/06/78/72/416067872.db2.gz BMDQVPHXSBZANT-CVEARBPZSA-N 2 0 317.433 0.489 50 0 DCAARP Cc1ccc(OCC[NH3+])c(C(=O)NC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000299779837 416068271 /nfs/dbraw/zinc/06/82/71/416068271.db2.gz LGEXMGONOVBEEW-CQSZACIVSA-N 2 0 321.421 0.519 50 0 DCAARP CC(CO)(CO)[NH2+][C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000072145109 685073492 /nfs/dbraw/zinc/07/34/92/685073492.db2.gz LJRXPNZPMNFUJR-CABCVRRESA-N 2 0 306.406 0.056 50 0 DCAARP C[NH+](C)CCc1nnc(NC(=O)[C@H]2CC23CC[NH2+]CC3)s1 ZINC001506407303 1017259054 /nfs/dbraw/zinc/25/90/54/1017259054.db2.gz QNKFDIWQDYMTDM-SNVBAGLBSA-N 2 0 309.439 0.970 50 0 DCAARP CN(CCCc1cnn(C)c1)C(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072166858 191067277 /nfs/dbraw/zinc/06/72/77/191067277.db2.gz PBPBDCAZDIZTIU-OAHLLOKOSA-N 2 0 319.453 0.543 50 0 DCAARP CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cc(C)[nH+]c(N2CCCCC2)n1 ZINC000092028039 193143689 /nfs/dbraw/zinc/14/36/89/193143689.db2.gz YHNLEBCSVWWJFT-OLZOCXBDSA-N 2 0 318.425 0.427 50 0 DCAARP NC(=O)c1ccc(C[NH+]2CCC3(CC[NH2+]C[C@H]3CO)CC2)cc1 ZINC000097730272 395760319 /nfs/dbraw/zinc/76/03/19/395760319.db2.gz DFVVWLFCVXNSPC-INIZCTEOSA-N 2 0 317.433 0.970 50 0 DCAARP Cc1cc2n(n1)CCCN(C(=O)[C@H]1CC3(C[NH2+]1)CC[NH2+]CC3)C2 ZINC000072143139 415409838 /nfs/dbraw/zinc/40/98/38/415409838.db2.gz VMRIWGDCTTXIQE-OAHLLOKOSA-N 2 0 317.437 0.656 50 0 DCAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CCC(=O)N1CCC(C)CC1 ZINC000067881510 279312449 /nfs/dbraw/zinc/31/24/49/279312449.db2.gz YBLRPGBTBYHHRO-MRXNPFEDSA-N 2 0 310.486 0.861 50 0 DCAARP C[N@H+](CCO)Cc1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000011873581 666252716 /nfs/dbraw/zinc/25/27/16/666252716.db2.gz ZPNAFRYPCILPKU-MRXNPFEDSA-N 2 0 324.421 0.183 50 0 DCAARP Cc1nn(CCO)c(C)c1C[N@H+]1CCC[C@@](O)(C[NH+](C)C)CC1 ZINC000072152179 685075861 /nfs/dbraw/zinc/07/58/61/685075861.db2.gz WONAHSVVLKHDCG-KRWDZBQOSA-N 2 0 324.469 0.771 50 0 DCAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cnc(C)[nH]3)CC[C@H]21 ZINC000072435550 191166623 /nfs/dbraw/zinc/16/66/23/191166623.db2.gz VYJREUVKJMRWLZ-DZGCQCFKSA-N 2 0 305.426 0.750 50 0 DCAARP OC[C@H]1CCC[N@H+](CCNc2ncnc3c2CC[NH2+]CC3)C1 ZINC000072462731 191172275 /nfs/dbraw/zinc/17/22/75/191172275.db2.gz OEBFEQQPQUVTSK-ZDUSSCGKSA-N 2 0 305.426 0.281 50 0 DCAARP CCC[NH+]1CCC(N2C[C@H]([NH3+])C[C@H]2C(=O)NCCOC)CC1 ZINC000299772754 283318844 /nfs/dbraw/zinc/31/88/44/283318844.db2.gz BVADVTCMMAVHGX-HIFRSBDPSA-N 2 0 312.458 0.025 50 0 DCAARP CN(CC[NH+](C)C)C[C@@H]1C[N@H+](Cc2cccc(O)c2)C[C@@H]1CO ZINC000091476445 193062355 /nfs/dbraw/zinc/06/23/55/193062355.db2.gz RZNQPPPOZYRLOT-IAGOWNOFSA-N 2 0 321.465 0.926 50 0 DCAARP C[N@H+](CCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1O)CCc1ccccc1 ZINC000426490397 257248590 /nfs/dbraw/zinc/24/85/90/257248590.db2.gz DPHVLXJNKQJMMZ-HZPDHXFCSA-N 2 0 320.437 0.183 50 0 DCAARP C[NH+](C)CCNC(=O)c1cccnc1OC1CC[NH+](C)CC1 ZINC000253390170 396026294 /nfs/dbraw/zinc/02/62/94/396026294.db2.gz AGNYOCJPEZYHLH-UHFFFAOYSA-N 2 0 306.410 0.846 50 0 DCAARP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000252476937 396019818 /nfs/dbraw/zinc/01/98/18/396019818.db2.gz FAVNJACNRPXFQT-PMPSAXMXSA-N 2 0 324.469 0.711 50 0 DCAARP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000261912120 396078834 /nfs/dbraw/zinc/07/88/34/396078834.db2.gz TZMRQBIFZPKRCJ-GHMZBOCLSA-N 2 0 308.348 0.081 50 0 DCAARP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2C[NH2+]CCO2)s1 ZINC000215546145 292098112 /nfs/dbraw/zinc/09/81/12/292098112.db2.gz UCJLEEPRKPFPKW-AWEZNQCLSA-N 2 0 311.451 0.935 50 0 DCAARP CCc1[nH+]c(N)nc(N2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)c1C ZINC000095374040 415558027 /nfs/dbraw/zinc/55/80/27/415558027.db2.gz FDAFDTZVEFIIKR-KBPBESRZSA-N 2 0 321.425 0.201 50 0 DCAARP C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000106869148 415652623 /nfs/dbraw/zinc/65/26/23/415652623.db2.gz HODYAMGWQIFNOB-IKGGRYGDSA-N 2 0 313.486 0.466 50 0 DCAARP CCC(=O)NCc1cc2n(n1)CC[N@H+](C[C@H]1[C@@H]3C[NH2+]C[C@H]13)C2 ZINC000299783343 659645542 /nfs/dbraw/zinc/64/55/42/659645542.db2.gz ZOLDFNTWSNUJNI-FICVDOATSA-N 2 0 303.410 0.190 50 0 DCAARP CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000864057965 667207272 /nfs/dbraw/zinc/20/72/72/667207272.db2.gz PTGMGWQJFOZTDB-CVEARBPZSA-N 2 0 310.486 0.954 50 0 DCAARP C[C@@H](CN1CCOCC1)[NH2+]C1CC[NH+](C2CCOCC2)CC1 ZINC000821831574 758181611 /nfs/dbraw/zinc/18/16/11/758181611.db2.gz VIJDGNCYVJWRLU-HNNXBMFYSA-N 2 0 311.470 0.940 50 0 DCAARP CC(C)[C@@H](NC(=O)C1CC[NH2+]CC1)c1nnc2n1CC[NH2+]CC2 ZINC000067770439 396033322 /nfs/dbraw/zinc/03/33/22/396033322.db2.gz CAVNVZWIKMMLGL-CQSZACIVSA-N 2 0 320.441 0.237 50 0 DCAARP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC(=O)N(CC3CC3)CC2)CC1 ZINC000584886967 396632476 /nfs/dbraw/zinc/63/24/76/396632476.db2.gz RIOJKZKNZDRHEE-OAHLLOKOSA-N 2 0 309.454 0.824 50 0 DCAARP COCCNc1ncnc2c1CC[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000072454057 415412756 /nfs/dbraw/zinc/41/27/56/415412756.db2.gz GBKXOWUNMWMZTQ-CQSZACIVSA-N 2 0 319.453 0.935 50 0 DCAARP OCC[C@H]1CN(Cc2cc3n(n2)CC[NH2+]C3)CC[N@@H+]1CC1CC1 ZINC000106968963 415657355 /nfs/dbraw/zinc/65/73/55/415657355.db2.gz MQHVBHLERGTMBQ-INIZCTEOSA-N 2 0 319.453 0.265 50 0 DCAARP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(N)=O ZINC000069895169 274246198 /nfs/dbraw/zinc/24/61/98/274246198.db2.gz DFKWCFCCKIEVSK-CZUORRHYSA-N 2 0 305.422 0.895 50 0 DCAARP OC[C@@H]1CCC[N@H+](CCNc2ncnc3c2CC[NH2+]CC3)C1 ZINC000072462732 191172363 /nfs/dbraw/zinc/17/23/63/191172363.db2.gz OEBFEQQPQUVTSK-CYBMUJFWSA-N 2 0 305.426 0.281 50 0 DCAARP C[NH+](C)[C@@H]1CCN(CCCN2CC3(CC[NH+](C)CC3)OC2=O)C1 ZINC000072463886 191174629 /nfs/dbraw/zinc/17/46/29/191174629.db2.gz AMSNSYSCOSYYKG-OAHLLOKOSA-N 2 0 324.469 0.929 50 0 DCAARP Cn1cncc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000237035571 202130574 /nfs/dbraw/zinc/13/05/74/202130574.db2.gz ALUYYOSJMDISLR-UHFFFAOYSA-N 2 0 300.410 0.857 50 0 DCAARP Cc1ccc(NCCCNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)C3)nc1 ZINC000065420874 184341244 /nfs/dbraw/zinc/34/12/44/184341244.db2.gz WFACHDKFUPCKRV-RHSMWYFYSA-N 2 0 317.437 0.459 50 0 DCAARP Nc1nc(NCCC[NH+]2CCC(O)CC2)cc(C2CC([NH3+])C2)n1 ZINC000220674302 395849612 /nfs/dbraw/zinc/84/96/12/395849612.db2.gz XEODZXOQPZZDED-UHFFFAOYSA-N 2 0 320.441 0.522 50 0 DCAARP O=C(C[NH+]1CCCC1)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O ZINC000252500669 396021686 /nfs/dbraw/zinc/02/16/86/396021686.db2.gz SZZMJCUAEMJCAR-HZPDHXFCSA-N 2 0 318.421 0.229 50 0 DCAARP C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000071877160 396121116 /nfs/dbraw/zinc/12/11/16/396121116.db2.gz ZPDHBEFMPABERU-FUHWJXTLSA-N 2 0 321.465 0.478 50 0 DCAARP Cc1ccccc1CNC(=O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000078777008 396253856 /nfs/dbraw/zinc/25/38/56/396253856.db2.gz UEEAIZCXYWCEIP-UHFFFAOYSA-N 2 0 319.449 0.905 50 0 DCAARP CC(C)(O)C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338708 418402826 /nfs/dbraw/zinc/40/28/26/418402826.db2.gz UHSMHFIMOSATDN-ZDUSSCGKSA-N 2 0 307.442 0.770 50 0 DCAARP O=C(NCc1cnn2cccnc12)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072144652 191051069 /nfs/dbraw/zinc/05/10/69/191051069.db2.gz RLKUKHSFGIWDHA-CYBMUJFWSA-N 2 0 314.393 0.077 50 0 DCAARP CCc1nc2c(c(NC[C@H](O)C[NH+]3CCCC3)n1)CC[NH2+]CC2 ZINC000072419635 191157139 /nfs/dbraw/zinc/15/71/39/191157139.db2.gz ASAXNGKOCLYWJM-ZDUSSCGKSA-N 2 0 319.453 0.596 50 0 DCAARP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000236897977 202059961 /nfs/dbraw/zinc/05/99/61/202059961.db2.gz JFPPWKAXZXRXJK-HIFRSBDPSA-N 2 0 310.442 0.126 50 0 DCAARP COc1cccc(C(=O)N2CC[NH2+][C@H](C)C2)c1OCCC[NH3+] ZINC000426424173 257250420 /nfs/dbraw/zinc/25/04/20/257250420.db2.gz ASXZLIVDYHAIDU-GFCCVEGCSA-N 2 0 307.394 0.857 50 0 DCAARP O=C(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCOCC1 ZINC000089884965 395715899 /nfs/dbraw/zinc/71/58/99/395715899.db2.gz SXYYUNVWONGQFF-UHFFFAOYSA-N 2 0 304.394 0.453 50 0 DCAARP Cc1cc(N2CC[NH+](CCCn3cccn3)CC2)nc(N)[nH+]1 ZINC000252495409 396021644 /nfs/dbraw/zinc/02/16/44/396021644.db2.gz OPXLXSMXECXYSP-UHFFFAOYSA-N 2 0 301.398 0.776 50 0 DCAARP Cc1cc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)nc(N)[nH+]1 ZINC000069535238 415397399 /nfs/dbraw/zinc/39/73/99/415397399.db2.gz OMXQAFJJPCYOBF-AWEZNQCLSA-N 2 0 304.442 0.974 50 0 DCAARP C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C[C@H]1CO ZINC000299791169 416068864 /nfs/dbraw/zinc/06/88/64/416068864.db2.gz DHKQUIBSCXBGPG-IKGGRYGDSA-N 2 0 317.433 0.832 50 0 DCAARP COCC[NH+]1CCC(CN(C)C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC000952978557 685601092 /nfs/dbraw/zinc/60/10/92/685601092.db2.gz ANJNGVYPVGYLTD-HNNXBMFYSA-N 2 0 323.441 0.096 50 0 DCAARP CCc1nnc(CNC(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)s1 ZINC000072427237 685075226 /nfs/dbraw/zinc/07/52/26/685075226.db2.gz QBZAQAUSSQIASV-NSHDSACASA-N 2 0 323.466 0.791 50 0 DCAARP Cc1cnn([C@H](C)[C@@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000229572148 201840543 /nfs/dbraw/zinc/84/05/43/201840543.db2.gz PBQRCGOAWLKLSB-BZUAXINKSA-N 2 0 309.458 0.339 50 0 DCAARP CC(C)CC[N@@H+]1CCN2C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]2C1 ZINC000014533415 395689435 /nfs/dbraw/zinc/68/94/35/395689435.db2.gz GUTMSLHKDMPJSF-UONOGXRCSA-N 2 0 310.442 0.173 50 0 DCAARP O=C(C1CC[NH+](CCO)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000097757965 395760438 /nfs/dbraw/zinc/76/04/38/395760438.db2.gz JOQCQSIHGZNAPQ-UHFFFAOYSA-N 2 0 318.421 0.435 50 0 DCAARP Nc1nc(C2CC([NH3+])C2)cc(N2CC[NH+](CC3CC3)CC2)n1 ZINC000222509452 395852862 /nfs/dbraw/zinc/85/28/62/395852862.db2.gz YHMIRCQKDALMSE-UHFFFAOYSA-N 2 0 302.426 0.796 50 0 DCAARP CC[N@@H+]1C[C@H](Nc2cc(C)[nH+]c(N3CCOCC3)n2)[C@@H](OC)C1 ZINC000534591407 416507004 /nfs/dbraw/zinc/50/70/04/416507004.db2.gz NFZARBZTMLFSKF-KBPBESRZSA-N 2 0 321.425 0.753 50 0 DCAARP Cc1c(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])nnn1C1CC[NH2+]CC1 ZINC000237456712 300919877 /nfs/dbraw/zinc/91/98/77/300919877.db2.gz HJRLTTLPMKKCAS-RISCZKNCSA-N 2 0 320.441 0.710 50 0 DCAARP CN(C)S(=O)(=O)CCC[N@H+](C)C[C@H]1CC[NH+](C)C1(C)C ZINC000823690367 758262247 /nfs/dbraw/zinc/26/22/47/758262247.db2.gz WVINNUSQMATRFW-CYBMUJFWSA-N 2 0 305.488 0.930 50 0 DCAARP Cn1ccnc1SCCNC(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072148370 191054859 /nfs/dbraw/zinc/05/48/59/191054859.db2.gz UMFYPTGRQIKDPV-GFCCVEGCSA-N 2 0 323.466 0.360 50 0 DCAARP C[NH+](C)CCC[NH2+]C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000006839736 181397855 /nfs/dbraw/zinc/39/78/55/181397855.db2.gz GRPJYHXULRUHIY-CQSZACIVSA-N 2 0 310.394 0.834 50 0 DCAARP O=C1NCCN2CC[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]12 ZINC000106694732 296375592 /nfs/dbraw/zinc/37/55/92/296375592.db2.gz KBDKZFPQTQOJTL-OAHLLOKOSA-N 2 0 306.454 0.415 50 0 DCAARP O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCCC[NH+]1CCCC1 ZINC000426489514 257249691 /nfs/dbraw/zinc/24/96/91/257249691.db2.gz HZYTZMADDLPLHS-HNNXBMFYSA-N 2 0 319.453 0.952 50 0 DCAARP C[C@H]1C[NH2+]CCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000125721655 395905738 /nfs/dbraw/zinc/90/57/38/395905738.db2.gz RQHJRJHAWXJHDR-ZDUSSCGKSA-N 2 0 303.410 0.267 50 0 DCAARP [NH3+][C@@H]1CCN(Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000215291991 416326971 /nfs/dbraw/zinc/32/69/71/416326971.db2.gz AFBXNWCQVOUNGX-MRXNPFEDSA-N 2 0 305.422 0.931 50 0 DCAARP CCSC[C@H]([NH3+])C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067673187 280039529 /nfs/dbraw/zinc/03/95/29/280039529.db2.gz WZHLAAIPWMUKJH-ZDUSSCGKSA-N 2 0 314.499 0.305 50 0 DCAARP [NH3+]CCN(Cc1ccccc1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000864094295 667214219 /nfs/dbraw/zinc/21/42/19/667214219.db2.gz PLSIYUDOHIJHBX-UHFFFAOYSA-N 2 0 311.451 0.777 50 0 DCAARP CC[N@@H+]1CCC[C@@H]1CN1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC001529158842 1014509427 /nfs/dbraw/zinc/50/94/27/1014509427.db2.gz NZDDXVWINLSKEW-GOSISDBHSA-N 2 0 324.513 0.545 50 0 DCAARP Cc1nncn1CC[N@H+]1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC001506399187 1017253453 /nfs/dbraw/zinc/25/34/53/1017253453.db2.gz KXEXGVWUAYNKFM-UHFFFAOYSA-N 2 0 306.458 0.688 50 0 DCAARP C[NH2+]CC(=O)N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095511997 185376528 /nfs/dbraw/zinc/37/65/28/185376528.db2.gz GAJYUNFHGDNTMQ-AWEZNQCLSA-N 2 0 307.442 0.760 50 0 DCAARP Cc1ncsc1CCNC(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072146069 191053484 /nfs/dbraw/zinc/05/34/84/191053484.db2.gz UEXPONJJOCZLFD-LBPRGKRZSA-N 2 0 308.451 0.842 50 0 DCAARP Cc1cc(C(F)(F)F)nn1CC[NH2+]C[C@@]1(O)CCC[NH2+]C1 ZINC000072428704 191161661 /nfs/dbraw/zinc/16/16/61/191161661.db2.gz RYMKJWZPSQUDTE-GFCCVEGCSA-N 2 0 306.332 0.914 50 0 DCAARP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CCC[C@@H]3[NH3+])CC2)c1 ZINC000237373401 202246768 /nfs/dbraw/zinc/24/67/68/202246768.db2.gz YRUGMRIPGVXNCC-KBPBESRZSA-N 2 0 304.394 0.866 50 0 DCAARP CCn1c(CC2CC[NH2+]CC2)nn(C[C@@H]2CC[N@H+](C)C2)c1=O ZINC000065369856 184329377 /nfs/dbraw/zinc/32/93/77/184329377.db2.gz NCAJOVAZZCBRED-CQSZACIVSA-N 2 0 307.442 0.559 50 0 DCAARP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N3CCNC3=O)C2)[nH+]1 ZINC000065575173 184367760 /nfs/dbraw/zinc/36/77/60/184367760.db2.gz LIGZKCGXFUFJDU-CYBMUJFWSA-N 2 0 317.393 0.676 50 0 DCAARP C[NH+](C)C[C@@H](O)COc1cccc(OC[C@@H](O)C[NH+](C)C)c1 ZINC000000358419 395680284 /nfs/dbraw/zinc/68/02/84/395680284.db2.gz ZFHISOYCJCHVCX-OKILXGFUSA-N 2 0 312.410 0.289 50 0 DCAARP CC(C)[C@H](NC(=O)C1CC[NH2+]CC1)c1nnc2n1CC[NH2+]CC2 ZINC000067770436 396033343 /nfs/dbraw/zinc/03/33/43/396033343.db2.gz CAVNVZWIKMMLGL-AWEZNQCLSA-N 2 0 320.441 0.237 50 0 DCAARP C[N@@H+](CC(=O)Nc1ccncc1)CC1CC[NH+](CCO)CC1 ZINC000071871572 396120171 /nfs/dbraw/zinc/12/01/71/396120171.db2.gz UVVZTHADJWXNMN-UHFFFAOYSA-N 2 0 306.410 0.656 50 0 DCAARP Cc1c[nH+]ccc1N1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000091893596 302386561 /nfs/dbraw/zinc/38/65/61/302386561.db2.gz PBUZMQULNFQGJP-OAHLLOKOSA-N 2 0 318.421 0.807 50 0 DCAARP CCc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)[NH+](C)C)cc1 ZINC000236980574 202107088 /nfs/dbraw/zinc/10/70/88/202107088.db2.gz IZWXRACUKWBERK-PMPSAXMXSA-N 2 0 305.422 0.691 50 0 DCAARP COCCC[NH+]1CCN(c2cc(C3CC([NH3+])C3)ncn2)CC1 ZINC000223208003 395854263 /nfs/dbraw/zinc/85/42/63/395854263.db2.gz PMHRIHAEZJZDBX-UHFFFAOYSA-N 2 0 305.426 0.840 50 0 DCAARP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000178518988 396198642 /nfs/dbraw/zinc/19/86/42/396198642.db2.gz SIMIZKMCWVKIAJ-INIZCTEOSA-N 2 0 316.449 0.855 50 0 DCAARP [NH3+]C[C@H]1CN(C(=O)CCC[NH+]2Cc3ccccc3C2)CCO1 ZINC000067689320 415386352 /nfs/dbraw/zinc/38/63/52/415386352.db2.gz RAMXXJYCUUQLLK-INIZCTEOSA-N 2 0 303.406 0.969 50 0 DCAARP COCC[NH2+]CC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000263274679 416337626 /nfs/dbraw/zinc/33/76/26/416337626.db2.gz QCDOSVCVIOMDSG-RBSFLKMASA-N 2 0 313.442 0.323 50 0 DCAARP CC(C)[NH+]1CCN(CCC[N@H+]2CCOC[C@@H]2C[C@H](C)O)CC1 ZINC000225723163 416327793 /nfs/dbraw/zinc/32/77/93/416327793.db2.gz BAQBBVXWYDVSRE-IRXDYDNUSA-N 2 0 313.486 0.874 50 0 DCAARP CN1CC[N@H+](C)C[C@H]1CNC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000952986668 685601990 /nfs/dbraw/zinc/60/19/90/685601990.db2.gz JPQVEPFOIOBHKQ-OAHLLOKOSA-N 2 0 308.470 0.757 50 0 DCAARP CCc1[nH+]c(N)nc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1C ZINC000091847958 193117431 /nfs/dbraw/zinc/11/74/31/193117431.db2.gz TYXJTGFYAXQSHE-LBPRGKRZSA-N 2 0 320.441 0.929 50 0 DCAARP CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccc(OCCC[NH3+])cc1 ZINC000426491334 257248135 /nfs/dbraw/zinc/24/81/35/257248135.db2.gz ASRUFJOQBBKQMJ-GJZGRUSLSA-N 2 0 307.394 0.473 50 0 DCAARP CC[NH+](CC)CCNC(=O)c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000017118421 395690604 /nfs/dbraw/zinc/69/06/04/395690604.db2.gz KRROYUKWBASWAI-UHFFFAOYSA-N 2 0 319.453 0.905 50 0 DCAARP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000221349191 395850056 /nfs/dbraw/zinc/85/00/56/395850056.db2.gz GWIOMXVYEIEQQS-HRCADAONSA-N 2 0 310.486 0.988 50 0 DCAARP CC(C)[C@H]([NH3+])C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000236725998 395896396 /nfs/dbraw/zinc/89/63/96/395896396.db2.gz SUFRHHRTGXEEEU-JYJNAYRXSA-N 2 0 310.486 0.987 50 0 DCAARP CN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000237287397 395909661 /nfs/dbraw/zinc/90/96/61/395909661.db2.gz FRBZJNHQPUPDEH-SJORKVTESA-N 2 0 317.433 0.832 50 0 DCAARP C[N@@H+](CC(=O)NCc1ccccn1)CC1CC[NH+](CCO)CC1 ZINC000069952056 396096263 /nfs/dbraw/zinc/09/62/63/396096263.db2.gz RPWFDOMCROXIFV-UHFFFAOYSA-N 2 0 320.437 0.334 50 0 DCAARP C[NH+](C)[C@@H]1CCN(CC(=O)N2CC[NH+](CC3CCCC3)CC2)C1 ZINC000584903471 396637107 /nfs/dbraw/zinc/63/71/07/396637107.db2.gz WYPDYYTWVOVWSF-QGZVFWFLSA-N 2 0 322.497 0.957 50 0 DCAARP COCCC[N@@H+]1CCC2(CC[NH+](CCO)CC2)[C@H](CO)C1 ZINC000097819627 292350577 /nfs/dbraw/zinc/35/05/77/292350577.db2.gz CVPUJHQHUSTKFI-HNNXBMFYSA-N 2 0 300.443 0.412 50 0 DCAARP Cc1cc(N2CCCN(c3cc(C)[nH+]c(N)n3)CC2)nc(N)[nH+]1 ZINC000045725746 415252370 /nfs/dbraw/zinc/25/23/70/415252370.db2.gz NEPLNTIZRHWBFF-UHFFFAOYSA-N 2 0 314.397 0.765 50 0 DCAARP Cc1c(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])nnn1C1CC[NH2+]CC1 ZINC000237844876 416329041 /nfs/dbraw/zinc/32/90/41/416329041.db2.gz OCIIAERKWSEJIM-OCCSQVGLSA-N 2 0 320.441 0.758 50 0 DCAARP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CC[NH2+]C1 ZINC000238153066 416329723 /nfs/dbraw/zinc/32/97/23/416329723.db2.gz KDAFLAVZEBTUGY-OAHLLOKOSA-N 2 0 317.433 0.869 50 0 DCAARP Cc1c(NC(=O)C[N@@H+](C)CCCc2nccn2C)cnn1C ZINC000244708035 416330727 /nfs/dbraw/zinc/33/07/27/416330727.db2.gz KMIUJKKESLSDNC-UHFFFAOYSA-N 2 0 304.398 0.965 50 0 DCAARP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000246574488 416332001 /nfs/dbraw/zinc/33/20/01/416332001.db2.gz ZMYUTQVWQODZLE-PMPSAXMXSA-N 2 0 324.469 0.975 50 0 DCAARP C[NH+](C)CCCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004957277 289115572 /nfs/dbraw/zinc/11/55/72/289115572.db2.gz BWFZQCRIVWXPAN-UHFFFAOYSA-N 2 0 312.458 0.480 50 0 DCAARP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H](O)C[NH+](C)C)c1 ZINC000534578692 334288623 /nfs/dbraw/zinc/28/86/23/334288623.db2.gz AZSSFYXGIDFYDA-OAHLLOKOSA-N 2 0 308.426 0.470 50 0 DCAARP C[NH+]1CCC2(CCN(C(=O)CN3CCC[N@H+](C)CC3)C2)CC1 ZINC000823770080 758266682 /nfs/dbraw/zinc/26/66/82/758266682.db2.gz LPVLIHTYHBYDKV-UHFFFAOYSA-N 2 0 308.470 0.568 50 0 DCAARP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N1C[C@@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000095405445 185355598 /nfs/dbraw/zinc/35/55/98/185355598.db2.gz FAVNJACNRPXFQT-OWCLPIDISA-N 2 0 324.469 0.711 50 0 DCAARP CCO[C@H]1C[N@H+](C)C[C@@H]1n1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072475843 191177511 /nfs/dbraw/zinc/17/75/11/191177511.db2.gz AMACOLZYSNMIPV-GJZGRUSLSA-N 2 0 316.409 0.741 50 0 DCAARP Nc1nc2c(s1)CN(C(=O)[C@H]1CC3(C[NH2+]1)CC[NH2+]CC3)CC2 ZINC000072144082 283691883 /nfs/dbraw/zinc/69/18/83/283691883.db2.gz LVUOFOGXRBZNKN-LLVKDONJSA-N 2 0 321.450 0.342 50 0 DCAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCCn2nccc2C2CC2)C1 ZINC000096148595 395746124 /nfs/dbraw/zinc/74/61/24/395746124.db2.gz UKKLFBOSRYBENX-RHSMWYFYSA-N 2 0 317.437 0.418 50 0 DCAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000237607097 395916806 /nfs/dbraw/zinc/91/68/06/395916806.db2.gz KJKAIDORSPUFEE-OWCLPIDISA-N 2 0 308.470 0.613 50 0 DCAARP COCCn1cncc1CNc1cc([C@H]2C[C@@H](O)C2)[nH+]c(N)n1 ZINC000244899616 395926305 /nfs/dbraw/zinc/92/63/05/395926305.db2.gz ZMWFYGWXBHZGAY-KLPPZKSPSA-N 2 0 318.381 0.752 50 0 DCAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2ccc(C(N)=O)cc2)CC1 ZINC000069349891 287086600 /nfs/dbraw/zinc/08/66/00/287086600.db2.gz BVUJBKZPRAEDLE-CYBMUJFWSA-N 2 0 305.422 0.968 50 0 DCAARP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(N)=O ZINC000069895162 274511892 /nfs/dbraw/zinc/51/18/92/274511892.db2.gz DFKWCFCCKIEVSK-BBRMVZONSA-N 2 0 305.422 0.895 50 0 DCAARP Cn1c(CC2CC[NH2+]CC2)nnc1CN1CC[C@@H]([NH+](C)C)C1 ZINC000055060890 289316911 /nfs/dbraw/zinc/31/69/11/289316911.db2.gz RJBHGWZFNJSZTG-CQSZACIVSA-N 2 0 306.458 0.493 50 0 DCAARP Cc1c[nH+]ccc1NCC[NH2+]Cc1c(CO)cnc(C)c1O ZINC000952971608 685600025 /nfs/dbraw/zinc/60/00/25/685600025.db2.gz STSINHKIRPSJSF-UHFFFAOYSA-N 2 0 302.378 0.915 50 0 DCAARP C[N@@H+]1CCOC[C@H](CNC(=O)c2cccc(OCC[NH3+])c2)C1 ZINC000426398020 257252357 /nfs/dbraw/zinc/25/23/57/257252357.db2.gz HBKPURGSZOORGT-CYBMUJFWSA-N 2 0 307.394 0.332 50 0 DCAARP CC(C)[NH+]1CCC(C[N@@H+]2CC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000067974614 396041708 /nfs/dbraw/zinc/04/17/08/396041708.db2.gz ZABBOCXFROXBRD-OAHLLOKOSA-N 2 0 317.499 0.978 50 0 DCAARP CC(=O)N1CCC(C[NH2+]CC2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000069779906 396090493 /nfs/dbraw/zinc/09/04/93/396090493.db2.gz BPYQDHZFZMMUEK-CQSZACIVSA-N 2 0 311.470 0.927 50 0 DCAARP Cc1cnn(C[C@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000071874872 396120214 /nfs/dbraw/zinc/12/02/14/396120214.db2.gz GBEFRNRPBOXCTE-AWEZNQCLSA-N 2 0 319.453 0.913 50 0 DCAARP [NH3+]CCn1cc(C(=O)NCCC[NH+]2Cc3ccccc3C2)nn1 ZINC000077354013 396219507 /nfs/dbraw/zinc/21/95/07/396219507.db2.gz GKDMHTJEAHLZBP-UHFFFAOYSA-N 2 0 314.393 0.373 50 0 DCAARP O=C(Nc1ccccc1)N1CCC([NH2+]C[C@]2(O)CC[NH2+]C2)CC1 ZINC000077353790 396219582 /nfs/dbraw/zinc/21/95/82/396219582.db2.gz CUEABKUTLBSEPN-KRWDZBQOSA-N 2 0 318.421 0.997 50 0 DCAARP CC(C)C[C@H](NC(=O)C[NH+](C)C)c1nnc2n1CC[NH2+]CC2 ZINC000299797109 416072022 /nfs/dbraw/zinc/07/20/22/416072022.db2.gz MIWLMSCHLVXHSS-LBPRGKRZSA-N 2 0 308.430 0.189 50 0 DCAARP Cc1nn(C)cc1CN1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000215075389 416327049 /nfs/dbraw/zinc/32/70/49/416327049.db2.gz UVMLTCXCEBNHDS-KRWDZBQOSA-N 2 0 303.454 0.940 50 0 DCAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2ccc(C(N)=O)cc2)CC1 ZINC000069349890 278289480 /nfs/dbraw/zinc/28/94/80/278289480.db2.gz BVUJBKZPRAEDLE-ZDUSSCGKSA-N 2 0 305.422 0.968 50 0 DCAARP CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)CN(C)Cc1ccncc1 ZINC000222339835 545941183 /nfs/dbraw/zinc/94/11/83/545941183.db2.gz ZFKWOHSPPXYJBZ-HOTGVXAUSA-N 2 0 320.437 0.737 50 0 DCAARP O=C([C@@H]1CCC[NH2+]CC1)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000828629982 759049091 /nfs/dbraw/zinc/04/90/91/759049091.db2.gz BHPHZVRZNKTXFM-CQSZACIVSA-N 2 0 309.454 0.824 50 0 DCAARP Nc1nc(NCCC[N@@H+]2CCCC[C@H]2CO)cc2nncn21 ZINC000828710846 759072400 /nfs/dbraw/zinc/07/24/00/759072400.db2.gz OTMTVEGOCPEQIN-NSHDSACASA-N 2 0 305.386 0.355 50 0 DCAARP C[NH+](C)[C@@H]1CCN(c2cc(N3CC[C@H]([NH+](C)C)C3)ncn2)C1 ZINC000097096765 282201375 /nfs/dbraw/zinc/20/13/75/282201375.db2.gz BYEICLBYRVDPPU-OKILXGFUSA-N 2 0 304.442 0.757 50 0 DCAARP O=C(NCc1cnn2cccnc12)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072144650 191051499 /nfs/dbraw/zinc/05/14/99/191051499.db2.gz RLKUKHSFGIWDHA-ZDUSSCGKSA-N 2 0 314.393 0.077 50 0 DCAARP CN1CCC([NH+]2CCC(C(=O)NCCc3ncc[nH]3)CC2)CC1 ZINC000426552085 257246862 /nfs/dbraw/zinc/24/68/62/257246862.db2.gz XCBUTBLLAJWJSQ-UHFFFAOYSA-N 3 0 319.453 0.875 50 0 DCAARP O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCC[NH+]1CCCC1 ZINC000426489432 257249613 /nfs/dbraw/zinc/24/96/13/257249613.db2.gz WQRDHQBSZVIGIO-CQSZACIVSA-N 2 0 305.426 0.562 50 0 DCAARP Cc1cnn(C[C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000071874870 396120688 /nfs/dbraw/zinc/12/06/88/396120688.db2.gz GBEFRNRPBOXCTE-CQSZACIVSA-N 2 0 319.453 0.913 50 0 DCAARP C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000071877162 396121426 /nfs/dbraw/zinc/12/14/26/396121426.db2.gz ZPDHBEFMPABERU-WMZOPIPTSA-N 2 0 321.465 0.478 50 0 DCAARP CCS(=O)(=O)NC[C@H](C)[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC000823412739 758246333 /nfs/dbraw/zinc/24/63/33/758246333.db2.gz ONIYQGFIWFSPSW-ZDUSSCGKSA-N 2 0 303.472 0.732 50 0 DCAARP Cc1n[nH]c(C)c1CCCNC(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072154627 191059017 /nfs/dbraw/zinc/05/90/17/191059017.db2.gz CZITXXDNBUCFQN-HNNXBMFYSA-N 2 0 319.453 0.807 50 0 DCAARP CC[NH+]1CCN(CCN2CC3(CC[NH+](C)CC3)OC2=O)CC1 ZINC000072424849 191160201 /nfs/dbraw/zinc/16/02/01/191160201.db2.gz VLHGUXCCWJLXDM-UHFFFAOYSA-N 2 0 310.442 0.541 50 0 DCAARP CC[C@H](CNc1nc(C)nc2c1CCN(CC[NH3+])CC2)[NH+](C)C ZINC000072479850 191181420 /nfs/dbraw/zinc/18/14/20/191181420.db2.gz AZKMCGDQNURIJV-CQSZACIVSA-N 2 0 320.485 0.896 50 0 DCAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2CO)CC1 ZINC000091768913 193103698 /nfs/dbraw/zinc/10/36/98/193103698.db2.gz DVFHSHHGNFBSAS-QZTJIDSGSA-N 2 0 318.465 0.759 50 0 DCAARP CC[NH+](CC)Cc1cnc2c(C(=O)N[C@@H]3CC[NH2+]C3)cnn2c1 ZINC000071278569 284738566 /nfs/dbraw/zinc/73/85/66/284738566.db2.gz NDDFXKWVYIATCK-CYBMUJFWSA-N 2 0 316.409 0.663 50 0 DCAARP NC(=O)c1ccc(C[NH+]2CCC3(CC[NH2+]C[C@@H]3CO)CC2)cc1 ZINC000097730271 395760166 /nfs/dbraw/zinc/76/01/66/395760166.db2.gz DFVVWLFCVXNSPC-MRXNPFEDSA-N 2 0 317.433 0.970 50 0 DCAARP C[C@H](O)C[N@@H+]1CCN(C[C@H](O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000247090760 395966647 /nfs/dbraw/zinc/96/66/47/395966647.db2.gz HODYAMGWQIFNOB-YESZJQIVSA-N 2 0 313.486 0.466 50 0 DCAARP Cc1cc2nc(CNC(=O)C34C[NH2+]CC3C[NH2+]C4)[nH]c2cc1C ZINC000067955559 396040415 /nfs/dbraw/zinc/04/04/15/396040415.db2.gz XFNMDVBGOGBCRG-UHFFFAOYSA-N 2 0 313.405 0.605 50 0 DCAARP Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000071877581 396121558 /nfs/dbraw/zinc/12/15/58/396121558.db2.gz LDWVSFHTNCSJML-UHFFFAOYSA-N 2 0 323.441 0.601 50 0 DCAARP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cccn2)CC1 ZINC000069632034 396085382 /nfs/dbraw/zinc/08/53/82/396085382.db2.gz WCTWDHSJRCJCCG-MRXNPFEDSA-N 2 0 319.453 0.948 50 0 DCAARP CN(C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000179050198 416180755 /nfs/dbraw/zinc/18/07/55/416180755.db2.gz HFYNFSDCPBBDHY-KRWDZBQOSA-N 2 0 316.449 0.868 50 0 DCAARP CC(C)[N@@H+]1CCO[C@@H](CC(=O)N2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)C1 ZINC000534660566 334313825 /nfs/dbraw/zinc/31/38/25/334313825.db2.gz LKASEEQYJVMBNP-ARKGTOAJSA-N 2 0 307.438 0.695 50 0 DCAARP c1c(CN2CCCO[C@@H](C[NH+]3CCCC3)C2)nn2c1C[NH2+]CC2 ZINC000072169379 191068741 /nfs/dbraw/zinc/06/87/41/191068741.db2.gz RDEQVKFNKPLVKL-KRWDZBQOSA-N 2 0 319.453 0.673 50 0 DCAARP COC[C@@H](O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171972822 198019466 /nfs/dbraw/zinc/01/94/66/198019466.db2.gz VIPHPQNBLSRNEN-LZWOXQAQSA-N 2 0 300.443 0.815 50 0 DCAARP COCC[N@@H+]1CC[C@H](CNc2nc(C)nc3c2CC[NH2+]CC3)C1 ZINC000072429066 191162361 /nfs/dbraw/zinc/16/23/61/191162361.db2.gz PZSLETRKAMXKRH-CQSZACIVSA-N 2 0 319.453 0.853 50 0 DCAARP CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Cc1ccc(OCC[NH3+])cc1 ZINC000426372045 257253163 /nfs/dbraw/zinc/25/31/63/257253163.db2.gz MBWJFIGQYBIHEW-GJZGRUSLSA-N 2 0 307.394 0.012 50 0 DCAARP C[NH+]1CCN(CCC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000089382693 395710586 /nfs/dbraw/zinc/71/05/86/395710586.db2.gz VMUUFPMVZNIDIH-UHFFFAOYSA-N 2 0 303.454 0.841 50 0 DCAARP C[NH+](C)[C@@H]1CCN(c2nccnc2N2CC[C@H]([NH+](C)C)C2)C1 ZINC000097379582 395757713 /nfs/dbraw/zinc/75/77/13/395757713.db2.gz OMEGFJUMSQYKLB-OKILXGFUSA-N 2 0 304.442 0.757 50 0 DCAARP Nc1nc(NCC[NH+]2CCC(CO)CC2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244795933 395925139 /nfs/dbraw/zinc/92/51/39/395925139.db2.gz RQAOGZUYKBFWER-BETUJISGSA-N 2 0 320.441 0.380 50 0 DCAARP CN1CCCN(C(=O)c2cccc(=O)[nH]2)CC12CC[NH2+]CC2 ZINC000215049453 416327086 /nfs/dbraw/zinc/32/70/86/416327086.db2.gz PYXJSBCRNRSHJW-UHFFFAOYSA-N 2 0 304.394 0.275 50 0 DCAARP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000246574483 416332142 /nfs/dbraw/zinc/33/21/42/416332142.db2.gz ZMYUTQVWQODZLE-OAGGEKHMSA-N 2 0 324.469 0.975 50 0 DCAARP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H](O)C[NH+](C)C)c1 ZINC000534578691 334288715 /nfs/dbraw/zinc/28/87/15/334288715.db2.gz AZSSFYXGIDFYDA-HNNXBMFYSA-N 2 0 308.426 0.470 50 0 DCAARP C[N@@H+]1CC[C@@](C)(C(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)C1 ZINC000823755019 758264913 /nfs/dbraw/zinc/26/49/13/758264913.db2.gz PVBBNQZJQFYBOY-MRXNPFEDSA-N 2 0 309.454 0.778 50 0 DCAARP C[NH+](C)C[C@@H](O)CN1CC[NH+](C2CSCCSC2)CC1 ZINC001506405915 1017256479 /nfs/dbraw/zinc/25/64/79/1017256479.db2.gz XOQDNCDPRPXIHG-CQSZACIVSA-N 2 0 319.540 0.375 50 0 DCAARP O[C@H]1CN(c2ncnc3c2CC[NH2+]CC3)C[C@@H]1[NH+]1CCCCC1 ZINC000072480777 191181915 /nfs/dbraw/zinc/18/19/15/191181915.db2.gz QVHNBTOXONMIDK-HOTGVXAUSA-N 2 0 317.437 0.200 50 0 DCAARP CC[NH+](CC)[C@@H]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000236863113 202042299 /nfs/dbraw/zinc/04/22/99/202042299.db2.gz FONZRDSSHCHONE-CQSZACIVSA-N 2 0 320.441 0.759 50 0 DCAARP Cc1cc(C)n([C@H](C)CNC(=O)CN(C)C2CC[NH2+]CC2)n1 ZINC000216482649 257273615 /nfs/dbraw/zinc/27/36/15/257273615.db2.gz OREJMRKEDIYLJT-CQSZACIVSA-N 2 0 307.442 0.861 50 0 DCAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000237606309 257238753 /nfs/dbraw/zinc/23/87/53/257238753.db2.gz ZUYRHURAJWODSM-GASCZTMLSA-N 2 0 310.486 0.988 50 0 DCAARP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000097272372 395756451 /nfs/dbraw/zinc/75/64/51/395756451.db2.gz YDFOMCIUZLDKKE-OAHLLOKOSA-N 2 0 313.409 0.346 50 0 DCAARP CC(C)[C@H]([NH3+])C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000182167567 396247804 /nfs/dbraw/zinc/24/78/04/396247804.db2.gz JNKQQXTXOXYKAT-INIZCTEOSA-N 2 0 319.453 0.775 50 0 DCAARP O=C(Nc1ccccc1)N1CCC([NH2+]C[C@@]2(O)CC[NH2+]C2)CC1 ZINC000077353792 396219415 /nfs/dbraw/zinc/21/94/15/396219415.db2.gz CUEABKUTLBSEPN-QGZVFWFLSA-N 2 0 318.421 0.997 50 0 DCAARP CN(C[C@@H]1CC[N@H+](C)C1(C)C)C(=O)CN1CCC[NH+](C)CC1 ZINC000584886733 396632203 /nfs/dbraw/zinc/63/22/03/396632203.db2.gz XHJRIANIFKIOFU-HNNXBMFYSA-N 2 0 310.486 0.813 50 0 DCAARP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000230140322 287269775 /nfs/dbraw/zinc/26/97/75/287269775.db2.gz FAVNJACNRPXFQT-BZUAXINKSA-N 2 0 324.469 0.711 50 0 DCAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCc2nc3ccccc3[nH]2)C1 ZINC000067605026 415380130 /nfs/dbraw/zinc/38/01/30/415380130.db2.gz UBIIAEPSAKUONL-SJKOYZFVSA-N 2 0 313.405 0.373 50 0 DCAARP O=C(NCC[NH+]1CCC(O)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000333711261 415722479 /nfs/dbraw/zinc/72/24/79/415722479.db2.gz GJZRAONLSVYTGR-UHFFFAOYSA-N 2 0 309.454 0.824 50 0 DCAARP CC[N@@H+]1C[C@H](NC(=O)c2cc(C)ccc2OCC[NH3+])[C@@H](OC)C1 ZINC000299779622 416067511 /nfs/dbraw/zinc/06/75/11/416067511.db2.gz PDCOIBVHRTYYIO-HOCLYGCPSA-N 2 0 321.421 0.781 50 0 DCAARP CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccc(C)cc1OCCC[NH3+] ZINC000299783774 416067708 /nfs/dbraw/zinc/06/77/08/416067708.db2.gz YRCATEGPUXBCNR-HOCLYGCPSA-N 2 0 321.421 0.781 50 0 DCAARP CC[N@@H+]1CCC[C@H]1Cn1ncc(N2CCC[NH+](C)CC2)cc1=O ZINC000095508506 276379735 /nfs/dbraw/zinc/37/97/35/276379735.db2.gz QZEXVFYVLGJSKI-HNNXBMFYSA-N 2 0 319.453 0.870 50 0 DCAARP CC[NH+](CC)CCCNC1=[NH+][C@@H]2CS(=O)(=O)C[C@@H]2S1 ZINC000002958803 279099796 /nfs/dbraw/zinc/09/97/96/279099796.db2.gz OYHMKDWDQAWHLY-MNOVXSKESA-N 2 0 305.469 0.576 50 0 DCAARP Cc1ncc2c(c1CNC(=O)C[C@H]1COCC[NH2+]1)CC[NH2+]C2 ZINC000072156881 191060897 /nfs/dbraw/zinc/06/08/97/191060897.db2.gz PTSHQSGKJDMOBM-ZDUSSCGKSA-N 2 0 304.394 0.030 50 0 DCAARP Cc1ncc2c(c1CNC(=O)C[C@@H]1COCC[NH2+]1)CC[NH2+]C2 ZINC000072156879 191061004 /nfs/dbraw/zinc/06/10/04/191061004.db2.gz PTSHQSGKJDMOBM-CYBMUJFWSA-N 2 0 304.394 0.030 50 0 DCAARP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)[nH+]1 ZINC000097200851 395756048 /nfs/dbraw/zinc/75/60/48/395756048.db2.gz XEJKHJKLSVJHCT-HNNXBMFYSA-N 2 0 318.421 0.983 50 0 DCAARP CC(C)[NH+](CCNC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)C(C)C ZINC000055281228 395915345 /nfs/dbraw/zinc/91/53/45/395915345.db2.gz VFZVDLHMUHGCGI-AWEZNQCLSA-N 2 0 312.458 0.419 50 0 DCAARP C[C@@H](C[NH+]1CCC(N2CCO[C@@H](C)C2)CC1)C(=O)OCCO ZINC000229852621 395876678 /nfs/dbraw/zinc/87/66/78/395876678.db2.gz VUJICXWPYPGXSV-KBPBESRZSA-N 2 0 314.426 0.343 50 0 DCAARP CC(C)C[C@H](NC(=O)C1([NH3+])CC1)c1nnc2n1CC[NH2+]CC2 ZINC000067822127 396035008 /nfs/dbraw/zinc/03/50/08/396035008.db2.gz VVLREFMDONLTMB-NSHDSACASA-N 2 0 306.414 0.119 50 0 DCAARP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000178518980 396198424 /nfs/dbraw/zinc/19/84/24/396198424.db2.gz SIMIZKMCWVKIAJ-MRXNPFEDSA-N 2 0 316.449 0.855 50 0 DCAARP C[N@@H+](CC(N)=O)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069490238 415401232 /nfs/dbraw/zinc/40/12/32/415401232.db2.gz JPBVRSNJXQTSKL-INIZCTEOSA-N 2 0 305.422 0.849 50 0 DCAARP [NH3+][C@@H]1CCN(Cc2ccccc2OCCN2CCOCC2)C1 ZINC000215052180 416326927 /nfs/dbraw/zinc/32/69/27/416326927.db2.gz BRFRDPZJWVVEJV-MRXNPFEDSA-N 2 0 305.422 0.931 50 0 DCAARP CC(C)n1cnnc1CN(C)C(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072140359 276087856 /nfs/dbraw/zinc/08/78/56/276087856.db2.gz GKKJQADLIUTMCF-CYBMUJFWSA-N 2 0 320.441 0.549 50 0 DCAARP CC(C)[C@H]([NH3+])C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000236726062 280272589 /nfs/dbraw/zinc/27/25/89/280272589.db2.gz SUFRHHRTGXEEEU-OAGGEKHMSA-N 2 0 310.486 0.987 50 0 DCAARP [NH3+]C[C@@H](O)CC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000888096988 661176009 /nfs/dbraw/zinc/17/60/09/661176009.db2.gz YJKLWVMOGUBCIZ-AWEZNQCLSA-N 2 0 313.442 0.095 50 0 DCAARP